4-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-pyridinyl)benzamide

C19H16ClN3O3S — CID 1310460

IUPAC4-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-pyridinyl)benzamide
SMILESCN(c1ccc(C(=O)Nc2ccc(Cl)cn2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H16ClN3O3S/c1-23(27(25,26)17-5-3-2-4-6-17)16-10-7-14(8-11-16)19(24)22-18-12-9-15(20)13-21-18/h2-13H,1H3,(H,21,22,24)
InChIKeyAMDYKVCJDINVML-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.81
Rot. Bonds5

About 4-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-pyridinyl)benzamide

4-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-pyridinyl)benzamide (PubChem CID 1310460) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-pyridinyl)benzamide
PubChem CID1310460
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-pyridinyl)benzamide
SMILESCN(c1ccc(C(=O)Nc2ccc(Cl)cn2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H16ClN3O3S/c1-23(27(25,26)17-5-3-2-4-6-17)16-10-7-14(8-11-16)19(24)22-18-12-9-15(20)13-21-18/h2-13H,1H3,(H,21,22,24)
InChIKeyAMDYKVCJDINVML-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-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-pyridinyl)benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-pyridinyl)benzamide (CID 1310460) is 4-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-pyridinyl)benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-pyridinyl)benzamide is CN(c1ccc(C(=O)Nc2ccc(Cl)cn2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-pyridinyl)benzamide?
The InChIKey is AMDYKVCJDINVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-23(27(25,26)17-5-3-2-4-6-17)16-10-7-14(8-11-16)19(24)22-18-12-9-15(20)13-21-18/h2-13H,1H3,(H,21,22,24).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-pyridinyl)benzamide?
4-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-pyridinyl)benzamide 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-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-pyridinyl)benzamide is sourced from PubChem (CID 1310460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).