N-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide

C18H14ClN3OS — CID 170976894

IUPACN-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(SNc2ccccc2Cl)c1)c1ccncc1
InChIInChI=1S/C18H14ClN3OS/c19-16-6-1-2-7-17(16)22-24-15-5-3-4-14(12-15)21-18(23)13-8-10-20-11-9-13/h1-12,22H,(H,21,23)
InChIKeyJCLREYWTDZJXMS-UHFFFAOYSA-N
MW355.85 g/mol
LogP5.11
Rot. Bonds5

About N-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide

N-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide (PubChem CID 170976894) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is N-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide
PubChem CID170976894
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC NameN-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(SNc2ccccc2Cl)c1)c1ccncc1
InChIInChI=1S/C18H14ClN3OS/c19-16-6-1-2-7-17(16)22-24-15-5-3-4-14(12-15)21-18(23)13-8-10-20-11-9-13/h1-12,22H,(H,21,23)
InChIKeyJCLREYWTDZJXMS-UHFFFAOYSA-N
XLogP5.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.85
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide
CID 170977185
N-[4-[(2-chlorophenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 56688132
N-(2-chlorophenyl)pyridine-4-carboxamide;hydrochloride
CID 110756414
N-[2-[(3-chlorophenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 167800033
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39187776
5-N-(2-chlorophenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107777
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
5-N-(2-chlorophenyl)-3-N-(3-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107934
N-[3-(naphthalene-1-carbonylamino)phenyl]pyridine-4-carboxamide
CID 55610557
N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906768
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 39677967

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide (CID 170976894) is N-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide is O=C(Nc1cccc(SNc2ccccc2Cl)c1)c1ccncc1.
What is the InChIKey of N-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide?
The InChIKey is JCLREYWTDZJXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-16-6-1-2-7-17(16)22-24-15-5-3-4-14(12-15)21-18(23)13-8-10-20-11-9-13/h1-12,22H,(H,21,23).
What are the key properties of N-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide?
N-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide has a molecular weight of 355.85 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 170976894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).