N-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide

C86H76ClN15O15S5 — CID 158278731

IUPACN-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1.Cc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1C.Cc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1C.Cc1cccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.O=C(Nc1ccn(S(=O)(=O)c2cccc(Cl)c2)c1)c1ccccn1
InChIInChI=1S/2C18H17N3O3S.2C17H15N3O3S.C16H12ClN3O3S/c2*1-13-6-7-16(11-14(13)2)25(23,24)21-10-8-15(12-21)20-18(22)17-5-3-4-9-19-17;1-13-5-4-6-15(11-13)24(22,23)20-10-8-14(12-20)19-17(21)16-7-2-3-9-18-16;1-13-5-7-15(8-6-13)24(22,23)20-11-9-14(12-20)19-17(21)16-4-2-3-10-18-16;17-12-4-3-5-14(10-12)24(22,23)20-9-7-13(11-20)19-16(21)15-6-1-2-8-18-15/h2*3-12H,1-2H3,(H,20,22);2*2-12H,1H3,(H,19,21);1-11H,(H,19,21)
InChIKeyGJYDDQSIJDDIBB-UHFFFAOYSA-N
MW1755.43 g/mol
LogP14.37
Rot. Bonds20

About N-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide

N-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 158278731) has the molecular formula C86H76ClN15O15S5 and a molecular weight of 1755.43 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
PubChem CID158278731
Molecular FormulaC86H76ClN15O15S5
Molecular Weight1755.43 g/mol
Exact Mass1753.39
IUPAC NameN-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1.Cc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1C.Cc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1C.Cc1cccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.O=C(Nc1ccn(S(=O)(=O)c2cccc(Cl)c2)c1)c1ccccn1
InChIInChI=1S/2C18H17N3O3S.2C17H15N3O3S.C16H12ClN3O3S/c2*1-13-6-7-16(11-14(13)2)25(23,24)21-10-8-15(12-21)20-18(22)17-5-3-4-9-19-17;1-13-5-4-6-15(11-13)24(22,23)20-10-8-14(12-20)19-17(21)16-7-2-3-9-18-16;1-13-5-7-15(8-6-13)24(22,23)20-11-9-14(12-20)19-17(21)16-4-2-3-10-18-16;17-12-4-3-5-14(10-12)24(22,23)20-9-7-13(11-20)19-16(21)15-6-1-2-8-18-15/h2*3-12H,1-2H3,(H,20,22);2*2-12H,1H3,(H,19,21);1-11H,(H,19,21)
InChIKeyGJYDDQSIJDDIBB-UHFFFAOYSA-N
XLogP14.37
TPSA405.30 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001755.43
LogP ≤ 514.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

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Related Compounds

N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 158207722
2-[1-(2-chloro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(2-chlorophenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[4-(1,1-difluoroethyl)-3-fluorophenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[fluoro-(2-fluorophenyl)methyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide;2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 159017437
N-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-(1-cyclopenta-1,4-dien-1-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(3,5-difluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(4-morpholin-4-ylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 161865665
N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3-chloro-5-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 161971332
5-chloro-N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[3-(1,1-difluoroethyl)phenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2,4-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;bis(2-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone);2-[1-(3-ethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-fluoro-5-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]-1,3-thiazole-2-carboxamide;2-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone
CID 162219044
2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane
CID 158387000
2-[1-(5-chloro-2,4-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;bis(2-[1-(2,3-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone);2-[1-(2-fluoro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-pyridin-2-ylethanone;N-[1-[(4-methyl-2-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 159017935

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide (CID 158278731) is N-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide is Cc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1.Cc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1C.Cc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1C.Cc1cccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.O=C(Nc1ccn(S(=O)(=O)c2cccc(Cl)c2)c1)c1ccccn1.
What is the InChIKey of N-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is GJYDDQSIJDDIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H17N3O3S.2C17H15N3O3S.C16H12ClN3O3S/c2*1-13-6-7-16(11-14(13)2)25(23,24)21-10-8-15(12-21)20-18(22)17-5-3-4-9-19-17;1-13-5-4-6-15(11-13)24(22,23)20-10-8-14(12-20)19-17(21)16-7-2-3-9-18-16;1-13-5-7-15(8-6-13)24(22,23)20-11-9-14(12-20)19-17(21)16-4-2-3-10-18-16;17-12-4-3-5-14(10-12)24(22,23)20-9-7-13(11-20)19-16(21)15-6-1-2-8-18-15/h2*3-12H,1-2H3,(H,20,22);2*2-12H,1H3,(H,19,21);1-11H,(H,19,21).
What are the key properties of N-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
N-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 1755.43 g/mol, XLogP of 14.37, 20 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158278731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).