4-(benzenesulfonyl)-N-pyridin-3-ylbenzamide

C18H14N2O3S — CID 1087725

IUPAC4-(benzenesulfonyl)-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H14N2O3S/c21-18(20-15-5-4-12-19-13-15)14-8-10-17(11-9-14)24(22,23)16-6-2-1-3-7-16/h1-13H,(H,20,21)
InChIKeyHVXSXXWEHBOUMF-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.17
Rot. Bonds4

About 4-(benzenesulfonyl)-N-pyridin-3-ylbenzamide

4-(benzenesulfonyl)-N-pyridin-3-ylbenzamide (PubChem CID 1087725) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-pyridin-3-ylbenzamide
PubChem CID1087725
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name4-(benzenesulfonyl)-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H14N2O3S/c21-18(20-15-5-4-12-19-13-15)14-8-10-17(11-9-14)24(22,23)16-6-2-1-3-7-16/h1-13H,(H,20,21)
InChIKeyHVXSXXWEHBOUMF-UHFFFAOYSA-N
XLogP3.17
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(benzenesulfonyl)-N-pyridin-3-ylbenzamide (CID 1087725) is 4-(benzenesulfonyl)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-pyridin-3-ylbenzamide?
The InChIKey is HVXSXXWEHBOUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c21-18(20-15-5-4-12-19-13-15)14-8-10-17(11-9-14)24(22,23)16-6-2-1-3-7-16/h1-13H,(H,20,21).
What are the key properties of 4-(benzenesulfonyl)-N-pyridin-3-ylbenzamide?
4-(benzenesulfonyl)-N-pyridin-3-ylbenzamide has a molecular weight of 338.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 1087725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).