4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide

C20H19N3O4S — CID 1242126

IUPAC4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccnc3)cc2)cc1
InChIInChI=1S/C20H19N3O4S/c1-23(28(25,26)19-11-9-18(27-2)10-12-19)17-7-5-15(6-8-17)20(24)22-16-4-3-13-21-14-16/h3-14H,1-2H3,(H,22,24)
InChIKeyIPQRELWJKVDKEG-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.17
Rot. Bonds6

About 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide

4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide (PubChem CID 1242126) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide
PubChem CID1242126
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccnc3)cc2)cc1
InChIInChI=1S/C20H19N3O4S/c1-23(28(25,26)19-11-9-18(27-2)10-12-19)17-7-5-15(6-8-17)20(24)22-16-4-3-13-21-14-16/h3-14H,1-2H3,(H,22,24)
InChIKeyIPQRELWJKVDKEG-UHFFFAOYSA-N
XLogP3.17
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide
CID 1210805
4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide
CID 33314267
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)benzamide
CID 1255625
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1265832
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227381
N-(4-ethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265486
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)benzamide
CID 1289268
4-[benzenesulfonyl(methyl)amino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43882282
N-(2,6-dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1260716
N-(4-bromo-3-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1252221
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 53280023

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide (CID 1242126) is 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccnc3)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide?
The InChIKey is IPQRELWJKVDKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-23(28(25,26)19-11-9-18(27-2)10-12-19)17-7-5-15(6-8-17)20(24)22-16-4-3-13-21-14-16/h3-14H,1-2H3,(H,22,24).
What are the key properties of 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide?
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide has a molecular weight of 397.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 1242126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).