4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)benzamide

C20H18ClN3O3S — CID 2970137

IUPAC4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(c1ccc(C(=O)NCc2ccccn2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-24(28(26,27)19-11-7-16(21)8-12-19)18-9-5-15(6-10-18)20(25)23-14-17-4-2-3-13-22-17/h2-13H,14H2,1H3,(H,23,25)
InChIKeyJYWKUVFOMSQBNI-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.49
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)benzamide

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 2970137) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID2970137
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(c1ccc(C(=O)NCc2ccccn2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-24(28(26,27)19-11-7-16(21)8-12-19)18-9-5-15(6-10-18)20(25)23-14-17-4-2-3-13-22-17/h2-13H,14H2,1H3,(H,23,25)
InChIKeyJYWKUVFOMSQBNI-UHFFFAOYSA-N
XLogP3.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.49
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-methylamino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)benzamide (CID 2970137) is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)benzamide is CN(c1ccc(C(=O)NCc2ccccn2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is JYWKUVFOMSQBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-24(28(26,27)19-11-7-16(21)8-12-19)18-9-5-15(6-10-18)20(25)23-14-17-4-2-3-13-22-17/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)benzamide?
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 415.90 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 2970137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).