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

C19H16ClN3O3S — CID 2228528

IUPAC4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide
SMILESCN(c1ccc(C(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O3S/c1-23(27(25,26)18-10-6-15(20)7-11-18)17-8-4-14(5-9-17)19(24)22-16-3-2-12-21-13-16/h2-13H,1H3,(H,22,24)
InChIKeyDELYBQCSKRGGQL-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.81
Rot. Bonds5

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

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide (PubChem CID 2228528) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide
PubChem CID2228528
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide
SMILESCN(c1ccc(C(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O3S/c1-23(27(25,26)18-10-6-15(20)7-11-18)17-8-4-14(5-9-17)19(24)22-16-3-2-12-21-13-16/h2-13H,1H3,(H,22,24)
InChIKeyDELYBQCSKRGGQL-UHFFFAOYSA-N
XLogP3.81
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.81
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-3-ylbenzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide (CID 2228528) is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide is CN(c1ccc(C(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide?
The InChIKey is DELYBQCSKRGGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-23(27(25,26)18-10-6-15(20)7-11-18)17-8-4-14(5-9-17)19(24)22-16-3-2-12-21-13-16/h2-13H,1H3,(H,22,24).
What are the key properties of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide?
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide has a molecular weight of 401.88 g/mol, XLogP of 3.81, 5 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-3-ylbenzamide is sourced from PubChem (CID 2228528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).