5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide

C14H12BrFN2O3S — CID 2990334

IUPAC5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(N)=O
InChIInChI=1S/C14H12BrFN2O3S/c1-8-2-4-10(7-11(8)14(17)19)22(20,21)18-13-5-3-9(15)6-12(13)16/h2-7,18H,1H3,(H2,17,19)
InChIKeyKKVQNDQRSWKGCK-UHFFFAOYSA-N
MW387.23 g/mol
LogP2.80
Rot. Bonds4

About 5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide

5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 2990334) has the molecular formula C14H12BrFN2O3S and a molecular weight of 387.23 g/mol. Its IUPAC name is 5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide
PubChem CID2990334
Molecular FormulaC14H12BrFN2O3S
Molecular Weight387.23 g/mol
Exact Mass385.97
IUPAC Name5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(N)=O
InChIInChI=1S/C14H12BrFN2O3S/c1-8-2-4-10(7-11(8)14(17)19)22(20,21)18-13-5-3-9(15)6-12(13)16/h2-7,18H,1H3,(H2,17,19)
InChIKeyKKVQNDQRSWKGCK-UHFFFAOYSA-N
XLogP2.80
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2-fluorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 4824317
3-amino-N-(4-bromo-2-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 29040272
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide
CID 103775627
4-amino-N-(4-bromo-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 82844080
N-(4-bromo-2-fluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 28530143
5-[(2-fluorophenyl)methylsulfamoyl]-2-methylbenzamide
CID 34033824
2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide
CID 2991974
5-[(carbamothioylamino)sulfamoyl]-2-methylbenzamide
CID 65214372
3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide
CID 39846088
2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
CID 63820783

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide (CID 2990334) is 5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(N)=O.
What is the InChIKey of 5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is KKVQNDQRSWKGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O3S/c1-8-2-4-10(7-11(8)14(17)19)22(20,21)18-13-5-3-9(15)6-12(13)16/h2-7,18H,1H3,(H2,17,19).
What are the key properties of 5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 387.23 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 2990334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).