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

C19H17N3O3S — CID 50914609

IUPAC4-(benzenesulfonamidomethyl)-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H17N3O3S/c23-19(22-17-5-4-12-20-14-17)16-10-8-15(9-11-16)13-21-26(24,25)18-6-2-1-3-7-18/h1-12,14,21H,13H2,(H,22,23)
InChIKeyPFUBTMVHCHKARS-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.81
Rot. Bonds6

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

4-(benzenesulfonamidomethyl)-N-pyridin-3-ylbenzamide (PubChem CID 50914609) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)-N-pyridin-3-ylbenzamide
PubChem CID50914609
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name4-(benzenesulfonamidomethyl)-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H17N3O3S/c23-19(22-17-5-4-12-20-14-17)16-10-8-15(9-11-16)13-21-26(24,25)18-6-2-1-3-7-18/h1-12,14,21H,13H2,(H,22,23)
InChIKeyPFUBTMVHCHKARS-UHFFFAOYSA-N
XLogP2.81
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)-N-pyridin-3-ylbenzamide (CID 50914609) is 4-(benzenesulfonamidomethyl)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)-N-pyridin-3-ylbenzamide?
The InChIKey is PFUBTMVHCHKARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-19(22-17-5-4-12-20-14-17)16-10-8-15(9-11-16)13-21-26(24,25)18-6-2-1-3-7-18/h1-12,14,21H,13H2,(H,22,23).
What are the key properties of 4-(benzenesulfonamidomethyl)-N-pyridin-3-ylbenzamide?
4-(benzenesulfonamidomethyl)-N-pyridin-3-ylbenzamide has a molecular weight of 367.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 50914609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).