2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide

C20H18ClN3O3S — CID 78794689

IUPAC2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)nc1
InChIInChI=1S/C20H18ClN3O3S/c1-14-8-11-19(22-13-14)23-20(25)17-12-16(9-10-18(17)21)28(26,27)24(2)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,22,23,25)
InChIKeyAOKGZNCXKJNBGB-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.12
Rot. Bonds5

About 2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide

2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 78794689) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID78794689
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)nc1
InChIInChI=1S/C20H18ClN3O3S/c1-14-8-11-19(22-13-14)23-20(25)17-12-16(9-10-18(17)21)28(26,27)24(2)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,22,23,25)
InChIKeyAOKGZNCXKJNBGB-UHFFFAOYSA-N
XLogP4.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106775
2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 60543355
2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 16573409
2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide
CID 2484826
2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 42921397
2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide
CID 78843267
5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 26896379
6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid
CID 86729965
2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78852465
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 17434832
2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28519051
methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
CID 2334810

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide (CID 78794689) is 2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)nc1.
What is the InChIKey of 2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is AOKGZNCXKJNBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-14-8-11-19(22-13-14)23-20(25)17-12-16(9-10-18(17)21)28(26,27)24(2)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,22,23,25).
What are the key properties of 2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 415.90 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 78794689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).