4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide

C18H13ClN2O3S — CID 1117984

IUPAC4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H13ClN2O3S/c19-14-5-9-17(10-6-14)25(23,24)16-7-3-13(4-8-16)18(22)21-15-2-1-11-20-12-15/h1-12H,(H,21,22)
InChIKeyQTMHYJVDCDJKJS-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.82
Rot. Bonds4

About 4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide

4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide (PubChem CID 1117984) has the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide
PubChem CID1117984
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
Exact Mass372.03
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H13ClN2O3S/c19-14-5-9-17(10-6-14)25(23,24)16-7-3-13(4-8-16)18(22)21-15-2-1-11-20-12-15/h1-12H,(H,21,22)
InChIKeyQTMHYJVDCDJKJS-UHFFFAOYSA-N
XLogP3.82
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide
CID 33314267
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851
4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide
CID 66634725
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 51162183
4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide
CID 1210805
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide (CID 1117984) is 4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide?
The InChIKey is QTMHYJVDCDJKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3S/c19-14-5-9-17(10-6-14)25(23,24)16-7-3-13(4-8-16)18(22)21-15-2-1-11-20-12-15/h1-12H,(H,21,22).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide?
4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide has a molecular weight of 372.83 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 1117984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).