N-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide

C19H16ClN3O3S — CID 20910418

IUPACN-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H16ClN3O3S/c20-16-6-8-18(9-7-16)27(25,26)23-17-10-15(12-21-13-17)19(24)22-11-14-4-2-1-3-5-14/h1-10,12-13,23H,11H2,(H,22,24)
InChIKeyJOELYUSPTWLPKB-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.47
Rot. Bonds6

About N-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide

N-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide (PubChem CID 20910418) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is N-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide
PubChem CID20910418
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC NameN-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H16ClN3O3S/c20-16-6-8-18(9-7-16)27(25,26)23-17-10-15(12-21-13-17)19(24)22-11-14-4-2-1-3-5-14/h1-10,12-13,23H,11H2,(H,22,24)
InChIKeyJOELYUSPTWLPKB-UHFFFAOYSA-N
XLogP3.47
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 20959980
3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 139390901
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109234047
5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109231717
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234070
N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)pyridine-3-carboxamide
CID 46345727
N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109231634

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide (CID 20910418) is N-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide is O=C(NCc1ccccc1)c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide?
The InChIKey is JOELYUSPTWLPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-16-6-8-18(9-7-16)27(25,26)23-17-10-15(12-21-13-17)19(24)22-11-14-4-2-1-3-5-14/h1-10,12-13,23H,11H2,(H,22,24).
What are the key properties of N-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide?
N-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide has a molecular weight of 401.88 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide is sourced from PubChem (CID 20910418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).