2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide

C17H19ClN2O3S — CID 50944504

IUPAC2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C17H19ClN2O3S/c1-11-6-5-7-12(2)16(11)19-17(21)14-9-8-13(10-15(14)18)20(3)24(4,22)23/h5-10H,1-4H3,(H,19,21)
InChIKeyZKAAERQULNCCAQ-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.60
Rot. Bonds4

About 2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide

2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 50944504) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID50944504
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C17H19ClN2O3S/c1-11-6-5-7-12(2)16(11)19-17(21)14-9-8-13(10-15(14)18)20(3)24(4,22)23/h5-10H,1-4H3,(H,19,21)
InChIKeyZKAAERQULNCCAQ-UHFFFAOYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 100520518
4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786544
2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 132660080
2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
CID 100767114
3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 50945551
2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 50945225
2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360
2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 133199988
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
2-chloro-4-[methyl(methylsulfonyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 133145463
2-chloro-4-[methyl(methylsulfonyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125042681
2-chloro-N-ethyl-5-[methyl(methylsulfonyl)amino]benzamide
CID 53278410

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide (CID 50944504) is 2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide is Cc1cccc(C)c1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is ZKAAERQULNCCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-11-6-5-7-12(2)16(11)19-17(21)14-9-8-13(10-15(14)18)20(3)24(4,22)23/h5-10H,1-4H3,(H,19,21).
What are the key properties of 2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide?
2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 366.87 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 50944504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).