2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide

C17H19ClN2O3S — CID 46770786

IUPAC2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C17H19ClN2O3S/c1-4-12-7-5-6-11(2)16(12)19-17(21)14-10-13(8-9-15(14)18)20-24(3,22)23/h5-10,20H,4H2,1-3H3,(H,19,21)
InChIKeyIKBTVUWWSAJIHW-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.83
Rot. Bonds5

About 2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide

2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide (PubChem CID 46770786) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide
PubChem CID46770786
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C17H19ClN2O3S/c1-4-12-7-5-6-11(2)16(12)19-17(21)14-10-13(8-9-15(14)18)20-24(3,22)23/h5-10,20H,4H2,1-3H3,(H,19,21)
InChIKeyIKBTVUWWSAJIHW-UHFFFAOYSA-N
XLogP3.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 28590817
N-(4-acetamidophenyl)-2-chloro-5-(methanesulfonamido)benzamide
CID 30397176
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
2-amino-5-chloro-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 114921441
methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate
CID 38015776
2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide
CID 28631283
2-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-5-(methanesulfonamido)benzamide
CID 99959560
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide
CID 30397362
N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
CID 958648
8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide
CID 100794759

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide?
The IUPAC name of 2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide (CID 46770786) is 2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide.
What is the SMILES notation for 2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide?
The canonical SMILES for 2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide is CCc1cccc(C)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide?
The InChIKey is IKBTVUWWSAJIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-4-12-7-5-6-11(2)16(12)19-17(21)14-10-13(8-9-15(14)18)20-24(3,22)23/h5-10,20H,4H2,1-3H3,(H,19,21).
What are the key properties of 2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide?
2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide has a molecular weight of 366.87 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide is sourced from PubChem (CID 46770786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).