3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide

C14H13BrN2O3S — CID 9219664

IUPAC3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C14H13BrN2O3S/c1-16-21(19,20)13-7-5-12(6-8-13)17-14(18)10-3-2-4-11(15)9-10/h2-9,16H,1H3,(H,17,18)
InChIKeyXXYXKZHWEHGXDB-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.61
Rot. Bonds4

About 3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide

3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide (PubChem CID 9219664) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is 3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
PubChem CID9219664
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C14H13BrN2O3S/c1-16-21(19,20)13-7-5-12(6-8-13)17-14(18)10-3-2-4-11(15)9-10/h2-9,16H,1H3,(H,17,18)
InChIKeyXXYXKZHWEHGXDB-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-(3-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 17459459
3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 43710565
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 1272823
3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide
CID 4121831
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
4-[(3-bromobenzoyl)amino]benzoate
CID 6943789
3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
CID 1184444
5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219705
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(methylsulfamoyl)benzamide
CID 31307957
N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide (CID 9219664) is 3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide is CNS(=O)(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide?
The InChIKey is XXYXKZHWEHGXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-16-21(19,20)13-7-5-12(6-8-13)17-14(18)10-3-2-4-11(15)9-10/h2-9,16H,1H3,(H,17,18).
What are the key properties of 3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide?
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide 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-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 9219664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).