4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide

C15H15BrClNO2S — CID 107858824

IUPAC4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(CBr)cc1)c1ccccc1Cl
InChIInChI=1S/C15H15BrClNO2S/c1-11(14-4-2-3-5-15(14)17)18-21(19,20)13-8-6-12(10-16)7-9-13/h2-9,11,18H,10H2,1H3/t11-/m0/s1
InChIKeyAWNWLQDREUSTMQ-NSHDSACASA-N
MW388.71 g/mol
LogP4.27
Rot. Bonds5

About 4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide

4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide (PubChem CID 107858824) has the molecular formula C15H15BrClNO2S and a molecular weight of 388.71 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
PubChem CID107858824
Molecular FormulaC15H15BrClNO2S
Molecular Weight388.71 g/mol
Exact Mass386.97
IUPAC Name4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(CBr)cc1)c1ccccc1Cl
InChIInChI=1S/C15H15BrClNO2S/c1-11(14-4-2-3-5-15(14)17)18-21(19,20)13-8-6-12(10-16)7-9-13/h2-9,11,18H,10H2,1H3/t11-/m0/s1
InChIKeyAWNWLQDREUSTMQ-NSHDSACASA-N
XLogP4.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.71
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]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

N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 107858568
4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 65481983
3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 61106720
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81378158
4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 66978868
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064
4-(bromomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 114168203
N-[1-(2-chlorophenyl)ethyl]-2-nitrobenzenesulfonamide
CID 42999444
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8800124

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide (CID 107858824) is 4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(CBr)cc1)c1ccccc1Cl.
What is the InChIKey of 4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide?
The InChIKey is AWNWLQDREUSTMQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H15BrClNO2S/c1-11(14-4-2-3-5-15(14)17)18-21(19,20)13-8-6-12(10-16)7-9-13/h2-9,11,18H,10H2,1H3/t11-/m0/s1.
What are the key properties of 4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide?
4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide has a molecular weight of 388.71 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 107858824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).