4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride

C177H241Br3Cl3FN12O40S7 — CID 159456541

IUPAC4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride
SMILESC.C1CCOC1.C1CCOC1.CC(=O)c1cc(Br)ncc1OCC1CCOCC1.CC(=O)c1cc(S(=O)(=O)Cl)ncc1OCC1CCOCC1.CC(=O)c1cc(SCc2ccccc2)ncc1OCC1CCOCC1.CCc1ccc(N)c(CCC(O)CC)c1.CCc1ccc(NS(=O)(=O)c2cc(C(C)=O)c(OCC3CCOCC3)cn2)c(CCC(O)CC)c1.CCc1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1cc(C(C)=O)c(OCC2CCOCC2)cn1.CCc1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1cc(CO)c(OCC2CCOCC2)cn1.CO.O=C(O)c1cc(Br)ncc1F.O=C(O)c1cc(Br)ncc1OCC1CCOCC1.O=S(Cl)Cl.OCC1CCOCC1.SCc1ccccc1
InChIInChI=1S/C26H36N2O6S.C26H34N2O5S.C25H34N2O5S.C20H23NO3S.C13H16BrNO3.C13H16ClNO5S.C13H21NO.C12H14BrNO4.C7H8S.C6H3BrFNO2.C6H12O2.2C4H8O.CH4O.CH4.Cl2OS/c1-4-19-6-9-24(21(14-19)7-8-22(30)5-2)28-35(31,32)26-15-23(18(3)29)25(16-27-26)34-17-20-10-12-33-13-11-20;1-4-19-6-9-24-21(14-19)7-8-22(5-2)28(24)34(30,31)26-15-23(18(3)29)25(16-27-26)33-17-20-10-12-32-13-11-20;1-3-18-5-8-23-20(13-18)6-7-22(4-2)27(23)33(29,30)25-14-21(16-28)24(15-26-25)32-17-19-9-11-31-12-10-19;1-15(22)18-11-20(25-14-17-5-3-2-4-6-17)21-12-19(18)24-13-16-7-9-23-10-8-16;1-9(16)11-6-13(14)15-7-12(11)18-8-10-2-4-17-5-3-10;1-9(16)11-6-13(21(14,17)18)15-7-12(11)20-8-10-2-4-19-5-3-10;1-3-10-5-8-13(14)11(9-10)6-7-12(15)4-2;13-11-5-9(12(15)16)10(6-14-11)18-7-8-1-3-17-4-2-8;8-6-7-4-2-1-3-5-7;7-5-1-3(6(10)11)4(8)2-9-5;7-5-6-1-3-8-4-2-6;2*1-2-4-5-3-1;1-2;;1-4(2)3/h6,9,14-16,20,22,28,30H,4-5,7-8,10-13,17H2,1-3H3;6,9,14-16,20,22H,4-5,7-8,10-13,17H2,1-3H3;5,8,13-15,19,22,28H,3-4,6-7,9-12,16-17H2,1-2H3;2-6,11-12,16H,7-10,13-14H2,1H3;6-7,10H,2-5,8H2,1H3;6-7,10H,2-5,8H2,1H3;5,8-9,12,15H,3-4,6-7,14H2,1-2H3;5-6,8H,1-4,7H2,(H,15,16);1-5,8H,6H2;1-2H,(H,10,11);6-7H,1-5H2;2*1-4H2;2H,1H3;1H4;
InChIKeyLUAWOEMMTJVKHE-UHFFFAOYSA-N
MW3766.46 g/mol
LogP33.81
Rot. Bonds56

About 4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride

4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride (PubChem CID 159456541) has the molecular formula C177H241Br3Cl3FN12O40S7 and a molecular weight of 3766.46 g/mol. Its IUPAC name is 4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride.

Molecular Properties

Compound Name4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride
PubChem CID159456541
Molecular FormulaC177H241Br3Cl3FN12O40S7
Molecular Weight3766.46 g/mol
Exact Mass3759.18
IUPAC Name4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride
SMILESC.C1CCOC1.C1CCOC1.CC(=O)c1cc(Br)ncc1OCC1CCOCC1.CC(=O)c1cc(S(=O)(=O)Cl)ncc1OCC1CCOCC1.CC(=O)c1cc(SCc2ccccc2)ncc1OCC1CCOCC1.CCc1ccc(N)c(CCC(O)CC)c1.CCc1ccc(NS(=O)(=O)c2cc(C(C)=O)c(OCC3CCOCC3)cn2)c(CCC(O)CC)c1.CCc1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1cc(C(C)=O)c(OCC2CCOCC2)cn1.CCc1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1cc(CO)c(OCC2CCOCC2)cn1.CO.O=C(O)c1cc(Br)ncc1F.O=C(O)c1cc(Br)ncc1OCC1CCOCC1.O=S(Cl)Cl.OCC1CCOCC1.SCc1ccccc1
InChIInChI=1S/C26H36N2O6S.C26H34N2O5S.C25H34N2O5S.C20H23NO3S.C13H16BrNO3.C13H16ClNO5S.C13H21NO.C12H14BrNO4.C7H8S.C6H3BrFNO2.C6H12O2.2C4H8O.CH4O.CH4.Cl2OS/c1-4-19-6-9-24(21(14-19)7-8-22(30)5-2)28-35(31,32)26-15-23(18(3)29)25(16-27-26)34-17-20-10-12-33-13-11-20;1-4-19-6-9-24-21(14-19)7-8-22(5-2)28(24)34(30,31)26-15-23(18(3)29)25(16-27-26)33-17-20-10-12-32-13-11-20;1-3-18-5-8-23-20(13-18)6-7-22(4-2)27(23)33(29,30)25-14-21(16-28)24(15-26-25)32-17-19-9-11-31-12-10-19;1-15(22)18-11-20(25-14-17-5-3-2-4-6-17)21-12-19(18)24-13-16-7-9-23-10-8-16;1-9(16)11-6-13(14)15-7-12(11)18-8-10-2-4-17-5-3-10;1-9(16)11-6-13(21(14,17)18)15-7-12(11)20-8-10-2-4-19-5-3-10;1-3-10-5-8-13(14)11(9-10)6-7-12(15)4-2;13-11-5-9(12(15)16)10(6-14-11)18-7-8-1-3-17-4-2-8;8-6-7-4-2-1-3-5-7;7-5-1-3(6(10)11)4(8)2-9-5;7-5-6-1-3-8-4-2-6;2*1-2-4-5-3-1;1-2;;1-4(2)3/h6,9,14-16,20,22,28,30H,4-5,7-8,10-13,17H2,1-3H3;6,9,14-16,20,22H,4-5,7-8,10-13,17H2,1-3H3;5,8,13-15,19,22,28H,3-4,6-7,9-12,16-17H2,1-2H3;2-6,11-12,16H,7-10,13-14H2,1H3;6-7,10H,2-5,8H2,1H3;6-7,10H,2-5,8H2,1H3;5,8-9,12,15H,3-4,6-7,14H2,1-2H3;5-6,8H,1-4,7H2,(H,15,16);1-5,8H,6H2;1-2H,(H,10,11);6-7H,1-5H2;2*1-4H2;2H,1H3;1H4;
InChIKeyLUAWOEMMTJVKHE-UHFFFAOYSA-N
XLogP33.81
TPSA719.29 Ų
H-Bond Donors10
H-Bond Acceptors49
Rotatable Bonds56
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003766.46
LogP ≤ 533.81
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride?
The IUPAC name of 4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride (CID 159456541) is 4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride.
What is the SMILES notation for 4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride?
The canonical SMILES for 4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride is C.C1CCOC1.C1CCOC1.CC(=O)c1cc(Br)ncc1OCC1CCOCC1.CC(=O)c1cc(S(=O)(=O)Cl)ncc1OCC1CCOCC1.CC(=O)c1cc(SCc2ccccc2)ncc1OCC1CCOCC1.CCc1ccc(N)c(CCC(O)CC)c1.CCc1ccc(NS(=O)(=O)c2cc(C(C)=O)c(OCC3CCOCC3)cn2)c(CCC(O)CC)c1.CCc1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1cc(C(C)=O)c(OCC2CCOCC2)cn1.CCc1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1cc(CO)c(OCC2CCOCC2)cn1.CO.O=C(O)c1cc(Br)ncc1F.O=C(O)c1cc(Br)ncc1OCC1CCOCC1.O=S(Cl)Cl.OCC1CCOCC1.SCc1ccccc1.
What is the InChIKey of 4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride?
The InChIKey is LUAWOEMMTJVKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O6S.C26H34N2O5S.C25H34N2O5S.C20H23NO3S.C13H16BrNO3.C13H16ClNO5S.C13H21NO.C12H14BrNO4.C7H8S.C6H3BrFNO2.C6H12O2.2C4H8O.CH4O.CH4.Cl2OS/c1-4-19-6-9-24(21(14-19)7-8-22(30)5-2)28-35(31,32)26-15-23(18(3)29)25(16-27-26)34-17-20-10-12-33-13-11-20;1-4-19-6-9-24-21(14-19)7-8-22(5-2)28(24)34(30,31)26-15-23(18(3)29)25(16-27-26)33-17-20-10-12-32-13-11-20;1-3-18-5-8-23-20(13-18)6-7-22(4-2)27(23)33(29,30)25-14-21(16-28)24(15-26-25)32-17-19-9-11-31-12-10-19;1-15(22)18-11-20(25-14-17-5-3-2-4-6-17)21-12-19(18)24-13-16-7-9-23-10-8-16;1-9(16)11-6-13(14)15-7-12(11)18-8-10-2-4-17-5-3-10;1-9(16)11-6-13(21(14,17)18)15-7-12(11)20-8-10-2-4-19-5-3-10;1-3-10-5-8-13(14)11(9-10)6-7-12(15)4-2;13-11-5-9(12(15)16)10(6-14-11)18-7-8-1-3-17-4-2-8;8-6-7-4-2-1-3-5-7;7-5-1-3(6(10)11)4(8)2-9-5;7-5-6-1-3-8-4-2-6;2*1-2-4-5-3-1;1-2;;1-4(2)3/h6,9,14-16,20,22,28,30H,4-5,7-8,10-13,17H2,1-3H3;6,9,14-16,20,22H,4-5,7-8,10-13,17H2,1-3H3;5,8,13-15,19,22,28H,3-4,6-7,9-12,16-17H2,1-2H3;2-6,11-12,16H,7-10,13-14H2,1H3;6-7,10H,2-5,8H2,1H3;6-7,10H,2-5,8H2,1H3;5,8-9,12,15H,3-4,6-7,14H2,1-2H3;5-6,8H,1-4,7H2,(H,15,16);1-5,8H,6H2;1-2H,(H,10,11);6-7H,1-5H2;2*1-4H2;2H,1H3;1H4;.
What are the key properties of 4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride?
4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride has a molecular weight of 3766.46 g/mol, XLogP of 33.81, 56 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride is sourced from PubChem (CID 159456541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).