N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide

C22H21NO3S — CID 19210991

IUPACN-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)N(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-16-12-14-19(15-13-16)22(24)23(21-11-7-8-17(2)18(21)3)27(25,26)20-9-5-4-6-10-20/h4-15H,1-3H3
InChIKeyLQQBMXZPTARPRX-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.65
Rot. Bonds4

About N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide

N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide (PubChem CID 19210991) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide
PubChem CID19210991
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC NameN-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)N(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-16-12-14-19(15-13-16)22(24)23(21-11-7-8-17(2)18(21)3)27(25,26)20-9-5-4-6-10-20/h4-15H,1-3H3
InChIKeyLQQBMXZPTARPRX-UHFFFAOYSA-N
XLogP4.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 19210967
N-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210993
N-(benzenesulfonyl)-2-chloro-N-(2,3-dimethylphenyl)benzamide
CID 19210697
N-(benzenesulfonyl)-2-bromo-N-(2,3-dimethylphenyl)benzamide
CID 19210750
N-(benzenesulfonyl)-4-chloro-N-(2,3-dimethylphenyl)-3-nitrobenzamide
CID 19211254
(E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide
CID 19212124
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide
CID 19210212
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-methyl-3-nitrobenzamide
CID 19219288
N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
CID 19219319
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 19210498
2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19217830
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210622

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide?
The IUPAC name of N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide (CID 19210991) is N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide is Cc1ccc(C(=O)N(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide?
The InChIKey is LQQBMXZPTARPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-16-12-14-19(15-13-16)22(24)23(21-11-7-8-17(2)18(21)3)27(25,26)20-9-5-4-6-10-20/h4-15H,1-3H3.
What are the key properties of N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide?
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide has a molecular weight of 379.48 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide is sourced from PubChem (CID 19210991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).