6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C89H112F14N38O20S6 — CID 159951437

IUPAC6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCC(F)(F)c1ccc(N2CCC(CO)[C@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(F)(F)c1ccc(N2CCCC(C(N)=O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(F)(F)c1ccc(N2CCC[C@@H](O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(F)(F)c1ccc(N2CCN(CCCO)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(F)(F)c1ccc(N2C[C@H](O)C[C@@H](O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCN3C(=O)OCC3C2)c1-c1nn[nH]n1
InChIInChI=1S/C16H23F2N7O3S.C15H15F3N6O4S.C15H19F3N6O3S.C15H19F2N7O3S.C14H18F2N6O4S.C14H18F2N6O3S/c1-16(17,18)11-3-4-12(25-8-6-24(7-9-25)5-2-10-26)13(14(11)29(19,27)28)15-20-22-23-21-15;1-29(26,27)12-9(15(16,17)18)2-3-10(11(12)13-19-21-22-20-13)23-4-5-24-8(6-23)7-28-14(24)25;1-15(17,18)9-2-3-11(24-5-4-8(7-25)10(16)6-24)12(13(9)28(19,26)27)14-20-22-23-21-14;1-15(16,17)9-4-5-10(24-6-2-3-8(7-24)13(18)25)11(12(9)28(19,26)27)14-20-22-23-21-14;1-14(15,16)9-2-3-10(22-5-7(23)4-8(24)6-22)11(12(9)27(17,25)26)13-18-20-21-19-13;1-14(15,16)9-4-5-10(22-6-2-3-8(23)7-22)11(12(9)26(17,24)25)13-18-20-21-19-13/h3-4,26H,2,5-10H2,1H3,(H2,19,27,28)(H,20,21,22,23);2-3,8H,4-7H2,1H3,(H,19,20,21,22);2-3,8,10,25H,4-7H2,1H3,(H2,19,26,27)(H,20,21,22,23);4-5,8H,2-3,6-7H2,1H3,(H2,18,25)(H2,19,26,27)(H,20,21,22,23);2-3,7-8,23-24H,4-6H2,1H3,(H2,17,25,26)(H,18,19,20,21);4-5,8,23H,2-3,6-7H2,1H3,(H2,17,24,25)(H,18,19,20,21)/t;;8?,10-;;7-,8-;8-/m..1.11/s1
InChIKeyOCDXGYSINUNFFU-YVDVQZOGSA-N
MW2492.49 g/mol
LogP2.31
Rot. Bonds28

About 6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 159951437) has the molecular formula C89H112F14N38O20S6 and a molecular weight of 2492.49 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID159951437
Molecular FormulaC89H112F14N38O20S6
Molecular Weight2492.49 g/mol
Exact Mass2490.70
IUPAC Name6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCC(F)(F)c1ccc(N2CCC(CO)[C@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(F)(F)c1ccc(N2CCCC(C(N)=O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(F)(F)c1ccc(N2CCC[C@@H](O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(F)(F)c1ccc(N2CCN(CCCO)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(F)(F)c1ccc(N2C[C@H](O)C[C@@H](O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCN3C(=O)OCC3C2)c1-c1nn[nH]n1
InChIInChI=1S/C16H23F2N7O3S.C15H15F3N6O4S.C15H19F3N6O3S.C15H19F2N7O3S.C14H18F2N6O4S.C14H18F2N6O3S/c1-16(17,18)11-3-4-12(25-8-6-24(7-9-25)5-2-10-26)13(14(11)29(19,27)28)15-20-22-23-21-15;1-29(26,27)12-9(15(16,17)18)2-3-10(11(12)13-19-21-22-20-13)23-4-5-24-8(6-23)7-28-14(24)25;1-15(17,18)9-2-3-11(24-5-4-8(7-25)10(16)6-24)12(13(9)28(19,26)27)14-20-22-23-21-14;1-15(16,17)9-4-5-10(24-6-2-3-8(7-24)13(18)25)11(12(9)28(19,26)27)14-20-22-23-21-14;1-14(15,16)9-2-3-10(22-5-7(23)4-8(24)6-22)11(12(9)27(17,25)26)13-18-20-21-19-13;1-14(15,16)9-4-5-10(22-6-2-3-8(23)7-22)11(12(9)26(17,24)25)13-18-20-21-19-13/h3-4,26H,2,5-10H2,1H3,(H2,19,27,28)(H,20,21,22,23);2-3,8H,4-7H2,1H3,(H,19,20,21,22);2-3,8,10,25H,4-7H2,1H3,(H2,19,26,27)(H,20,21,22,23);4-5,8H,2-3,6-7H2,1H3,(H2,18,25)(H2,19,26,27)(H,20,21,22,23);2-3,7-8,23-24H,4-6H2,1H3,(H2,17,25,26)(H,18,19,20,21);4-5,8,23H,2-3,6-7H2,1H3,(H2,17,24,25)(H,18,19,20,21)/t;;8?,10-;;7-,8-;8-/m..1.11/s1
InChIKeyOCDXGYSINUNFFU-YVDVQZOGSA-N
XLogP2.31
TPSA858.16 Ų
H-Bond Donors17
H-Bond Acceptors45
Rotatable Bonds28
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002492.49
LogP ≤ 52.31
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1045

Analyze 6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine
CID 158761485
2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol
CID 161201016
6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(2-hydroxyethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 162060388
(4aR,8aS)-7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-2,3,4,4a,5,6,8,8a-octahydropyrano[2,3-c]pyridine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-2-azaspiro[5.5]undecane;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-3-yl]propan-1-ol;1-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]pyrrolidin-3-amine;1-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine
CID 162102915

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 159951437) is 6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is CC(F)(F)c1ccc(N2CCC(CO)[C@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(F)(F)c1ccc(N2CCCC(C(N)=O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(F)(F)c1ccc(N2CCC[C@@H](O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(F)(F)c1ccc(N2CCN(CCCO)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(F)(F)c1ccc(N2C[C@H](O)C[C@@H](O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCN3C(=O)OCC3C2)c1-c1nn[nH]n1.
What is the InChIKey of 6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is OCDXGYSINUNFFU-YVDVQZOGSA-N. The full InChI is InChI=1S/C16H23F2N7O3S.C15H15F3N6O4S.C15H19F3N6O3S.C15H19F2N7O3S.C14H18F2N6O4S.C14H18F2N6O3S/c1-16(17,18)11-3-4-12(25-8-6-24(7-9-25)5-2-10-26)13(14(11)29(19,27)28)15-20-22-23-21-15;1-29(26,27)12-9(15(16,17)18)2-3-10(11(12)13-19-21-22-20-13)23-4-5-24-8(6-23)7-28-14(24)25;1-15(17,18)9-2-3-11(24-5-4-8(7-25)10(16)6-24)12(13(9)28(19,26)27)14-20-22-23-21-14;1-15(16,17)9-4-5-10(24-6-2-3-8(7-24)13(18)25)11(12(9)28(19,26)27)14-20-22-23-21-14;1-14(15,16)9-2-3-10(22-5-7(23)4-8(24)6-22)11(12(9)27(17,25)26)13-18-20-21-19-13;1-14(15,16)9-4-5-10(22-6-2-3-8(23)7-22)11(12(9)26(17,24)25)13-18-20-21-19-13/h3-4,26H,2,5-10H2,1H3,(H2,19,27,28)(H,20,21,22,23);2-3,8H,4-7H2,1H3,(H,19,20,21,22);2-3,8,10,25H,4-7H2,1H3,(H2,19,26,27)(H,20,21,22,23);4-5,8H,2-3,6-7H2,1H3,(H2,18,25)(H2,19,26,27)(H,20,21,22,23);2-3,7-8,23-24H,4-6H2,1H3,(H2,17,25,26)(H,18,19,20,21);4-5,8,23H,2-3,6-7H2,1H3,(H2,17,24,25)(H,18,19,20,21)/t;;8?,10-;;7-,8-;8-/m..1.11/s1.
What are the key properties of 6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 2492.49 g/mol, XLogP of 2.31, 28 rotatable bonds, 17 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 159951437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).