3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide

C14H13BrN2O3S — CID 31580763

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NS(=O)(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C14H13BrN2O3S/c1-16-14(18)10-4-2-6-12(8-10)17-21(19,20)13-7-3-5-11(15)9-13/h2-9,17H,1H3,(H,16,18)
InChIKeyAMOSAERSMLWZDF-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.61
Rot. Bonds4

About 3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide

3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide (PubChem CID 31580763) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide
PubChem CID31580763
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NS(=O)(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C14H13BrN2O3S/c1-16-14(18)10-4-2-6-12(8-10)17-21(19,20)13-7-3-5-11(15)9-13/h2-9,17H,1H3,(H,16,18)
InChIKeyAMOSAERSMLWZDF-UHFFFAOYSA-N
XLogP2.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580790
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580711
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
CID 31580807
N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 142738756
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622073
3-[[3-[(4-bromophenyl)carbamoyl]phenyl]sulfonylamino]benzoate
CID 6965043
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26537602

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide (CID 31580763) is 3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide is CNC(=O)c1cccc(NS(=O)(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide?
The InChIKey is AMOSAERSMLWZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-16-14(18)10-4-2-6-12(8-10)17-21(19,20)13-7-3-5-11(15)9-13/h2-9,17H,1H3,(H,16,18).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide?
3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide has a molecular weight of 369.24 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 31580763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).