3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide

C16H17ClN2O3S — CID 24629332

IUPAC3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O3S/c1-11-7-8-15(14(17)9-11)23(21,22)18-13-6-4-5-12(10-13)16(20)19(2)3/h4-10,18H,1-3H3
InChIKeyATDMQFXQDJQOEO-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.15
Rot. Bonds4

About 3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide

3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide (PubChem CID 24629332) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
PubChem CID24629332
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O3S/c1-11-7-8-15(14(17)9-11)23(21,22)18-13-6-4-5-12(10-13)16(20)19(2)3/h4-10,18H,1-3H3
InChIKeyATDMQFXQDJQOEO-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 171822680
3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629318
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629266
3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide
CID 134040441
methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate
CID 60621327
3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide
CID 134057882
N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide
CID 90665331
methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate
CID 51113035
methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 24629326
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312
2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide
CID 24629235
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide (CID 24629332) is 3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is ATDMQFXQDJQOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-11-7-8-15(14(17)9-11)23(21,22)18-13-6-4-5-12(10-13)16(20)19(2)3/h4-10,18H,1-3H3.
What are the key properties of 3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 352.84 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 24629332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).