1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide

C9H12BrClN2O2S — CID 106070903

IUPAC1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide
SMILESCC(CN)S(=O)(=O)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H12BrClN2O2S/c1-6(5-12)16(14,15)13-7-2-3-9(11)8(10)4-7/h2-4,6,13H,5,12H2,1H3
InChIKeyJRRTYBFTEYPWIF-UHFFFAOYSA-N
MW327.63 g/mol
LogP2.19
Rot. Bonds4

About 1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide

1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide (PubChem CID 106070903) has the molecular formula C9H12BrClN2O2S and a molecular weight of 327.63 g/mol. Its IUPAC name is 1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide
PubChem CID106070903
Molecular FormulaC9H12BrClN2O2S
Molecular Weight327.63 g/mol
Exact Mass325.95
IUPAC Name1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide
SMILESCC(CN)S(=O)(=O)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H12BrClN2O2S/c1-6(5-12)16(14,15)13-7-2-3-9(11)8(10)4-7/h2-4,6,13H,5,12H2,1H3
InChIKeyJRRTYBFTEYPWIF-UHFFFAOYSA-N
XLogP2.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.63
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide 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

1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide
CID 106089270
1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003304
N-(3,4-dichlorophenyl)propane-2-sulfonamide
CID 62999267
ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate
CID 114463867
N-(3-bromo-4-chlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141645
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 106002934
N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80686183
N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide
CID 81245009
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107613406
tert-butyl N-[4-amino-3-(3-bromo-4-chloroanilino)butan-2-yl]carbamate
CID 102730332

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide?
The IUPAC name of 1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide (CID 106070903) is 1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide is CC(CN)S(=O)(=O)Nc1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide?
The InChIKey is JRRTYBFTEYPWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2O2S/c1-6(5-12)16(14,15)13-7-2-3-9(11)8(10)4-7/h2-4,6,13H,5,12H2,1H3.
What are the key properties of 1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide?
1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide has a molecular weight of 327.63 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide is sourced from PubChem (CID 106070903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).