4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide

C17H19ClN2O3S — CID 100786544

IUPAC4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O3S/c1-11-6-5-7-12(2)16(11)19-17(21)13-8-9-14(18)15(10-13)20(3)24(4,22)23/h5-10H,1-4H3,(H,19,21)
InChIKeyNATUCOOCXJNRKC-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.60
Rot. Bonds4

About 4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide

4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 100786544) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide
PubChem CID100786544
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O3S/c1-11-6-5-7-12(2)16(11)19-17(21)13-8-9-14(18)15(10-13)20(3)24(4,22)23/h5-10H,1-4H3,(H,19,21)
InChIKeyNATUCOOCXJNRKC-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

4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide
CID 26894430
4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786584
4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786432
4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 100786469
2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 50944504
3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 50945551
N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide
CID 14500553
N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 7719621
2-[(3-chloro-4-iodobenzoyl)amino]-3-methylbenzoic acid
CID 103218854
4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide
CID 100786729
N-(2-chloro-6-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 66254574
4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide
CID 81002737

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of 4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide (CID 100786544) is 4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for 4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for 4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide is Cc1cccc(C)c1NC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is NATUCOOCXJNRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-11-6-5-7-12(2)16(11)19-17(21)13-8-9-14(18)15(10-13)20(3)24(4,22)23/h5-10H,1-4H3,(H,19,21).
What are the key properties of 4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide?
4-chloro-N-(2,6-dimethylphenyl)-3-[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 4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 100786544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).