4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide

C9H10BrFN2O2S — CID 67529849

IUPAC4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(Br)cc1NC1CC1
InChIInChI=1S/C9H10BrFN2O2S/c10-5-3-7(11)9(16(12,14)15)8(4-5)13-6-1-2-6/h3-4,6,13H,1-2H2,(H2,12,14,15)
InChIKeyWJZXECSJOZTHTN-UHFFFAOYSA-N
MW309.16 g/mol
LogP1.81
Rot. Bonds3

About 4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide

4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide (PubChem CID 67529849) has the molecular formula C9H10BrFN2O2S and a molecular weight of 309.16 g/mol. Its IUPAC name is 4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide
PubChem CID67529849
Molecular FormulaC9H10BrFN2O2S
Molecular Weight309.16 g/mol
Exact Mass307.96
IUPAC Name4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(Br)cc1NC1CC1
InChIInChI=1S/C9H10BrFN2O2S/c10-5-3-7(11)9(16(12,14)15)8(4-5)13-6-1-2-6/h3-4,6,13H,1-2H2,(H2,12,14,15)
InChIKeyWJZXECSJOZTHTN-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide 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

4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide
CID 67530049
2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide
CID 67530522
4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide
CID 166343044
4-bromo-2-fluoro-6-iodobenzenesulfonamide
CID 171033063
4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol
CID 106593664
methyl 4-bromo-2-fluoro-6-(oxan-4-ylamino)benzoate
CID 166637637
4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline
CID 103439382
4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419248
4-(5-bromo-2-fluoroanilino)cyclohexane-1-carbonitrile
CID 115150017
2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide
CID 133423368
2,4,6-trifluorobenzenesulfonamide
CID 2778291
N-(4-bromo-2-fluorophenyl)piperidin-4-amine
CID 61016241

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide (CID 67529849) is 4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide is NS(=O)(=O)c1c(F)cc(Br)cc1NC1CC1.
What is the InChIKey of 4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide?
The InChIKey is WJZXECSJOZTHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O2S/c10-5-3-7(11)9(16(12,14)15)8(4-5)13-6-1-2-6/h3-4,6,13H,1-2H2,(H2,12,14,15).
What are the key properties of 4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide?
4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide has a molecular weight of 309.16 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide is sourced from PubChem (CID 67529849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).