4-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzamide

C18H13ClN2O3S — CID 1087757

IUPAC4-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H13ClN2O3S/c19-14-6-10-16(11-7-14)25(23,24)15-8-4-13(5-9-15)18(22)21-17-3-1-2-12-20-17/h1-12H,(H,20,21,22)
InChIKeyQWDWLKADPUINMI-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.82
Rot. Bonds4

About 4-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzamide

4-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzamide (PubChem CID 1087757) has the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzamide
PubChem CID1087757
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
Exact Mass372.03
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H13ClN2O3S/c19-14-6-10-16(11-7-14)25(23,24)15-8-4-13(5-9-15)18(22)21-17-3-1-2-12-20-17/h1-12H,(H,20,21,22)
InChIKeyQWDWLKADPUINMI-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzamide (CID 1087757) is 4-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzamide?
The InChIKey is QWDWLKADPUINMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3S/c19-14-6-10-16(11-7-14)25(23,24)15-8-4-13(5-9-15)18(22)21-17-3-1-2-12-20-17/h1-12H,(H,20,21,22).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzamide?
4-(4-chlorophenyl)sulfonyl-N-pyridin-2-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-2-ylbenzamide is sourced from PubChem (CID 1087757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).