4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide

C14H14BrClN2O2S — CID 107613406

IUPAC4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C14H14BrClN2O2S/c1-9(17)10-2-5-12(6-3-10)21(19,20)18-11-4-7-13(15)14(16)8-11/h2-9,18H,17H2,1H3
InChIKeyDWORNJBOIWPGKL-UHFFFAOYSA-N
MW389.70 g/mol
LogP3.92
Rot. Bonds4

About 4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide

4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide (PubChem CID 107613406) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
PubChem CID107613406
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC Name4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C14H14BrClN2O2S/c1-9(17)10-2-5-12(6-3-10)21(19,20)18-11-4-7-13(15)14(16)8-11/h2-9,18H,17H2,1H3
InChIKeyDWORNJBOIWPGKL-UHFFFAOYSA-N
XLogP3.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide 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-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 19683886
4-(1-aminoethyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43111564
4-amino-3-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107618470
4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81280802
3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 43104208
3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 65437568
4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
CID 79044635
2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide
CID 107616514
4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588980
N-[4-chloro-3-(piperidin-1-ylamino)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 67303784
N-(4-bromo-3-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2962820
methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate
CID 107612728

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide (CID 107613406) is 4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide is CC(N)c1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide?
The InChIKey is DWORNJBOIWPGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-9(17)10-2-5-12(6-3-10)21(19,20)18-11-4-7-13(15)14(16)8-11/h2-9,18H,17H2,1H3.
What are the key properties of 4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide?
4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide has a molecular weight of 389.70 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 107613406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).