N-(benzenesulfonyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide

C19H16N2O4S — CID 1242547

IUPACN-(benzenesulfonyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(N(C(=O)c2cccnc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H16N2O4S/c1-25-17-11-9-16(10-12-17)21(19(22)15-6-5-13-20-14-15)26(23,24)18-7-3-2-4-8-18/h2-14H,1H3
InChIKeyGLCBKSJNAVHJHM-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.13
Rot. Bonds5

About N-(benzenesulfonyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide

N-(benzenesulfonyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 1242547) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID1242547
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC NameN-(benzenesulfonyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(N(C(=O)c2cccnc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H16N2O4S/c1-25-17-11-9-16(10-12-17)21(19(22)15-6-5-13-20-14-15)26(23,24)18-7-3-2-4-8-18/h2-14H,1H3
InChIKeyGLCBKSJNAVHJHM-UHFFFAOYSA-N
XLogP3.13
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide (CID 1242547) is N-(benzenesulfonyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(N(C(=O)c2cccnc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is GLCBKSJNAVHJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-25-17-11-9-16(10-12-17)21(19(22)15-6-5-13-20-14-15)26(23,24)18-7-3-2-4-8-18/h2-14H,1H3.
What are the key properties of N-(benzenesulfonyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
N-(benzenesulfonyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 1242547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).