4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide

C17H19ClN2O4S — CID 87027249

IUPAC4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(C)c(OC)cc2C)c1
InChIInChI=1S/C17H19ClN2O4S/c1-10-8-16(11(2)7-15(10)24-4)25(22,23)20-14-9-12(17(21)19-3)5-6-13(14)18/h5-9,20H,1-4H3,(H,19,21)
InChIKeyOPRGIAPHEXWTLJ-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.13
Rot. Bonds5

About 4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide

4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide (PubChem CID 87027249) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide
PubChem CID87027249
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(C)c(OC)cc2C)c1
InChIInChI=1S/C17H19ClN2O4S/c1-10-8-16(11(2)7-15(10)24-4)25(22,23)20-14-9-12(17(21)19-3)5-6-13(14)18/h5-9,20H,1-4H3,(H,19,21)
InChIKeyOPRGIAPHEXWTLJ-UHFFFAOYSA-N
XLogP3.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 87027257
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 3680171
2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 94619748
N-[2-(methanesulfonamido)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113093443
4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692631
methyl 4-chloro-3-[[3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 4207135
N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146076584
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3581351
4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
CID 60531609
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of 4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide (CID 87027249) is 4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(C)c(OC)cc2C)c1.
What is the InChIKey of 4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide?
The InChIKey is OPRGIAPHEXWTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-10-8-16(11(2)7-15(10)24-4)25(22,23)20-14-9-12(17(21)19-3)5-6-13(14)18/h5-9,20H,1-4H3,(H,19,21).
What are the key properties of 4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide?
4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide has a molecular weight of 382.87 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 87027249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).