3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine

C104H141F3N36O12S6 — CID 159475200

IUPAC3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine
SMILESCS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCNCC4)CC3)cc2)c1-c1nn[nH]n1.Cc1ccc(N(C)C)c(-c2ncn[nH]2)c1S(N)(=O)=O.Cc1ccc(N2CC3(CCCCC3)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(N2CCC(N3CCCCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(N2CCC3(CCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(N2CCC3(CCCCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C25H29F3N6O2S.C18H27N7O2S.C18H26N6O2S.2C16H22N6O2S.C11H15N5O2S/c1-37(35,36)23-21(25(26,27)28)7-6-20(22(23)24-30-32-33-31-24)18-4-2-16(3-5-18)17-10-14-34(15-11-17)19-8-12-29-13-9-19;1-13-5-6-15(16(17(13)28(19,26)27)18-20-22-23-21-18)25-11-7-14(8-12-25)24-9-3-2-4-10-24;1-13-5-6-14(15(16(13)27(19,25)26)17-20-22-23-21-17)24-11-9-18(10-12-24)7-3-2-4-8-18;1-11-3-4-12(22-9-7-16(8-10-22)5-2-6-16)13(14(11)25(17,23)24)15-18-20-21-19-15;1-11-5-6-12(22-9-16(10-22)7-3-2-4-8-16)13(14(11)25(17,23)24)15-18-20-21-19-15;1-7-4-5-8(16(2)3)9(10(7)19(12,17)18)11-13-6-14-15-11/h2-7,17,19,29H,8-15H2,1H3,(H,30,31,32,33);5-6,14H,2-4,7-12H2,1H3,(H2,19,26,27)(H,20,21,22,23);5-6H,2-4,7-12H2,1H3,(H2,19,25,26)(H,20,21,22,23);3-4H,2,5-10H2,1H3,(H2,17,23,24)(H,18,19,20,21);5-6H,2-4,7-10H2,1H3,(H2,17,23,24)(H,18,19,20,21);4-6H,1-3H3,(H2,12,17,18)(H,13,14,15)
InChIKeyLWHGWHSCAZRVAY-UHFFFAOYSA-N
MW2336.91 g/mol
LogP11.22
Rot. Bonds21

About 3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine

3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine (PubChem CID 159475200) has the molecular formula C104H141F3N36O12S6 and a molecular weight of 2336.91 g/mol. Its IUPAC name is 3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine
PubChem CID159475200
Molecular FormulaC104H141F3N36O12S6
Molecular Weight2336.91 g/mol
Exact Mass2334.98
IUPAC Name3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine
SMILESCS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCNCC4)CC3)cc2)c1-c1nn[nH]n1.Cc1ccc(N(C)C)c(-c2ncn[nH]2)c1S(N)(=O)=O.Cc1ccc(N2CC3(CCCCC3)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(N2CCC(N3CCCCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(N2CCC3(CCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(N2CCC3(CCCCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C25H29F3N6O2S.C18H27N7O2S.C18H26N6O2S.2C16H22N6O2S.C11H15N5O2S/c1-37(35,36)23-21(25(26,27)28)7-6-20(22(23)24-30-32-33-31-24)18-4-2-16(3-5-18)17-10-14-34(15-11-17)19-8-12-29-13-9-19;1-13-5-6-15(16(17(13)28(19,26)27)18-20-22-23-21-18)25-11-7-14(8-12-25)24-9-3-2-4-10-24;1-13-5-6-14(15(16(13)27(19,25)26)17-20-22-23-21-17)24-11-9-18(10-12-24)7-3-2-4-8-18;1-11-3-4-12(22-9-7-16(8-10-22)5-2-6-16)13(14(11)25(17,23)24)15-18-20-21-19-15;1-11-5-6-12(22-9-16(10-22)7-3-2-4-8-16)13(14(11)25(17,23)24)15-18-20-21-19-15;1-7-4-5-8(16(2)3)9(10(7)19(12,17)18)11-13-6-14-15-11/h2-7,17,19,29H,8-15H2,1H3,(H,30,31,32,33);5-6,14H,2-4,7-12H2,1H3,(H2,19,26,27)(H,20,21,22,23);5-6H,2-4,7-12H2,1H3,(H2,19,25,26)(H,20,21,22,23);3-4H,2,5-10H2,1H3,(H2,17,23,24)(H,18,19,20,21);5-6H,2-4,7-10H2,1H3,(H2,17,23,24)(H,18,19,20,21);4-6H,1-3H3,(H2,12,17,18)(H,13,14,15)
InChIKeyLWHGWHSCAZRVAY-UHFFFAOYSA-N
XLogP11.22
TPSA683.52 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds21
Heavy Atoms161
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002336.91
LogP ≤ 511.22
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze 3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine?
The IUPAC name of 3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine (CID 159475200) is 3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine.
What is the SMILES notation for 3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine?
The canonical SMILES for 3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine is CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCNCC4)CC3)cc2)c1-c1nn[nH]n1.Cc1ccc(N(C)C)c(-c2ncn[nH]2)c1S(N)(=O)=O.Cc1ccc(N2CC3(CCCCC3)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(N2CCC(N3CCCCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(N2CCC3(CCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(N2CCC3(CCCCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.
What is the InChIKey of 3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine?
The InChIKey is LWHGWHSCAZRVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N6O2S.C18H27N7O2S.C18H26N6O2S.2C16H22N6O2S.C11H15N5O2S/c1-37(35,36)23-21(25(26,27)28)7-6-20(22(23)24-30-32-33-31-24)18-4-2-16(3-5-18)17-10-14-34(15-11-17)19-8-12-29-13-9-19;1-13-5-6-15(16(17(13)28(19,26)27)18-20-22-23-21-18)25-11-7-14(8-12-25)24-9-3-2-4-10-24;1-13-5-6-14(15(16(13)27(19,25)26)17-20-22-23-21-17)24-11-9-18(10-12-24)7-3-2-4-8-18;1-11-3-4-12(22-9-7-16(8-10-22)5-2-6-16)13(14(11)25(17,23)24)15-18-20-21-19-15;1-11-5-6-12(22-9-16(10-22)7-3-2-4-8-16)13(14(11)25(17,23)24)15-18-20-21-19-15;1-7-4-5-8(16(2)3)9(10(7)19(12,17)18)11-13-6-14-15-11/h2-7,17,19,29H,8-15H2,1H3,(H,30,31,32,33);5-6,14H,2-4,7-12H2,1H3,(H2,19,26,27)(H,20,21,22,23);5-6H,2-4,7-12H2,1H3,(H2,19,25,26)(H,20,21,22,23);3-4H,2,5-10H2,1H3,(H2,17,23,24)(H,18,19,20,21);5-6H,2-4,7-10H2,1H3,(H2,17,23,24)(H,18,19,20,21);4-6H,1-3H3,(H2,12,17,18)(H,13,14,15).
What are the key properties of 3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine?
3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine has a molecular weight of 2336.91 g/mol, XLogP of 11.22, 21 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[3.5]nonan-2-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(3-azaspiro[5.5]undecan-3-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(1H-1,2,4-triazol-5-yl)benzenesulfonamide;6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-piperidin-4-ylpiperidine is sourced from PubChem (CID 159475200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).