4-(bromomethyl)-2-chlorobenzenesulfonamide

C7H7BrClNO2S — CID 125468106

IUPAC4-(bromomethyl)-2-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CBr)cc1Cl
InChIInChI=1S/C7H7BrClNO2S/c8-4-5-1-2-7(6(9)3-5)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyVANMSMRMZOTQKU-UHFFFAOYSA-N
MW284.56 g/mol
LogP1.88
Rot. Bonds2

About 4-(bromomethyl)-2-chlorobenzenesulfonamide

4-(bromomethyl)-2-chlorobenzenesulfonamide (PubChem CID 125468106) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-2-chlorobenzenesulfonamide
PubChem CID125468106
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name4-(bromomethyl)-2-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CBr)cc1Cl
InChIInChI=1S/C7H7BrClNO2S/c8-4-5-1-2-7(6(9)3-5)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyVANMSMRMZOTQKU-UHFFFAOYSA-N
XLogP1.88
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.56
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-2-chlorobenzenesulfonamide 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

2-Chloro-4-(trifluoromethyl)benzenesulfonamide
CID 2773925
2-Chloro-4-methylbenzene-1-sulfonyl chloride
CID 289081
2-Chloro-6-methylbenzene-1-sulfonamide
CID 19957968
2-Chloro-4-(chloromethyl)benzene-1-sulfonyl chloride
CID 83272033
2-Chloro-4-methylbenzene-1-sulfonamide
CID 16787667
2-Chloro-N,4-dimethylbenzene-1-sulfonamide
CID 32673216
2-Chloro-4-methylbenzenesulfonyl fluoride
CID 289082
2-(Bromomethyl)-4-chlorobenzenesulfonyl fluoride
CID 303935
5-(Bromomethyl)-2-chlorobenzenesulfonyl fluoride
CID 303936
Benzenesulfonylfluoride, 2-(bromomethyl)-6-chloro-
CID 308443
2-chloro-N-hydroxy-4-(trifluoromethyl)benzenesulfonamide
CID 52939826
4-(Bromomethyl)-3-chlorobenzenesulfonyl fluoride
CID 88741901

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-2-chlorobenzenesulfonamide (CID 125468106) is 4-(bromomethyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-2-chlorobenzenesulfonamide is NS(=O)(=O)c1ccc(CBr)cc1Cl.
What is the InChIKey of 4-(bromomethyl)-2-chlorobenzenesulfonamide?
The InChIKey is VANMSMRMZOTQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c8-4-5-1-2-7(6(9)3-5)13(10,11)12/h1-3H,4H2,(H2,10,11,12).
What are the key properties of 4-(bromomethyl)-2-chlorobenzenesulfonamide?
4-(bromomethyl)-2-chlorobenzenesulfonamide has a molecular weight of 284.56 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 125468106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).