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

C17H19ClN2O3S — CID 39000922

IUPAC4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)cc1C
InChIInChI=1S/C17H19ClN2O3S/c1-11-5-7-14(9-12(11)2)24(22,23)19-16-10-13(18)6-8-15(16)17(21)20(3)4/h5-10,19H,1-4H3
InChIKeyLVRALUKOJIBDLT-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.46
Rot. Bonds4

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

4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide (PubChem CID 39000922) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
PubChem CID39000922
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)cc1C
InChIInChI=1S/C17H19ClN2O3S/c1-11-5-7-14(9-12(11)2)24(22,23)19-16-10-13(18)6-8-15(16)17(21)20(3)4/h5-10,19H,1-4H3
InChIKeyLVRALUKOJIBDLT-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000948
4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000902
4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
CID 55604034
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 43063617
2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 39833794
4-chloro-2-[(2,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000972
4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide
CID 55896087
2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid
CID 43697977
4-[(2,5-dichlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676923
4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride
CID 12750523
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide (CID 39000922) is 4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)cc1C.
What is the InChIKey of 4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is LVRALUKOJIBDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-11-5-7-14(9-12(11)2)24(22,23)19-16-10-13(18)6-8-15(16)17(21)20(3)4/h5-10,19H,1-4H3.
What are the key properties of 4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 366.87 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 39000922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).