3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide

C15H15BrN2O3S — CID 31580790

IUPAC3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)c(C)c2)c1
InChIInChI=1S/C15H15BrN2O3S/c1-10-8-13(6-7-14(10)16)22(20,21)18-12-5-3-4-11(9-12)15(19)17-2/h3-9,18H,1-2H3,(H,17,19)
InChIKeyZUEZCWISDCGCEC-UHFFFAOYSA-N
MW383.27 g/mol
LogP2.92
Rot. Bonds4

About 3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide

3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide (PubChem CID 31580790) has the molecular formula C15H15BrN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is 3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide
PubChem CID31580790
Molecular FormulaC15H15BrN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.00
IUPAC Name3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)c(C)c2)c1
InChIInChI=1S/C15H15BrN2O3S/c1-10-8-13(6-7-14(10)16)22(20,21)18-12-5-3-4-11(9-12)15(19)17-2/h3-9,18H,1-2H3,(H,17,19)
InChIKeyZUEZCWISDCGCEC-UHFFFAOYSA-N
XLogP2.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide
CID 31580763
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580711
4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide
CID 7938634
4-bromo-N-(3-iodophenyl)-3-methylbenzenesulfonamide
CID 60640765
4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide
CID 60641368
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
CID 31580807
N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide
CID 134040442
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of 3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide (CID 31580790) is 3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for 3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide is CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)c(C)c2)c1.
What is the InChIKey of 3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide?
The InChIKey is ZUEZCWISDCGCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S/c1-10-8-13(6-7-14(10)16)22(20,21)18-12-5-3-4-11(9-12)15(19)17-2/h3-9,18H,1-2H3,(H,17,19).
What are the key properties of 3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide?
3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide has a molecular weight of 383.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 31580790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).