3-(bromomethyl)-5-chlorobenzenesulfonamide

C7H7BrClNO2S — CID 124707365

IUPAC3-(bromomethyl)-5-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)cc(CBr)c1
InChIInChI=1S/C7H7BrClNO2S/c8-4-5-1-6(9)3-7(2-5)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyYQGMJGREFKWWRV-UHFFFAOYSA-N
MW284.56 g/mol
LogP1.88
Rot. Bonds2

About 3-(bromomethyl)-5-chlorobenzenesulfonamide

3-(bromomethyl)-5-chlorobenzenesulfonamide (PubChem CID 124707365) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 3-(bromomethyl)-5-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-(bromomethyl)-5-chlorobenzenesulfonamide
PubChem CID124707365
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name3-(bromomethyl)-5-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)cc(CBr)c1
InChIInChI=1S/C7H7BrClNO2S/c8-4-5-1-6(9)3-7(2-5)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyYQGMJGREFKWWRV-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'}

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Related Compounds

3-Chloro-5-(chloromethyl)benzene-1-sulfonamide
CID 91647653
3-Chloro-5-methylbenzenesulfonamide
CID 101597397
5-(Bromomethyl)-4-chloro-2-fluorobenzenesulfonamide
CID 66740719
3-Butyl-5-chloro-2-fluorobenzenesulfonamide
CID 68517898
5-(2-Bromoethyl)-4-chloro-2-fluorobenzenesulfonamide
CID 174653018
3-Chloro-5-(trifluoromethyl)benzenesulfonamide
CID 116700729
5-(Bromomethyl)-2-chloro-4-fluorobenzenesulfonamide
CID 125467639
3-Chloro-4-fluoro-5-methylbenzenesulfonamide
CID 130838384
3-Chloro-2-fluoro-5-methylbenzenesulfonamide
CID 130912757
5-Chloro-2-fluoro-3-methylbenzenesulfonamide
CID 130924412
3-Chloro-5-trifluoromethyl-benZenesulfonyl hydraZide
CID 171367003
5-(Bromomethyl)-2-chlorobenzenesulfonamide
CID 18374393

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-chlorobenzenesulfonamide?
The IUPAC name of 3-(bromomethyl)-5-chlorobenzenesulfonamide (CID 124707365) is 3-(bromomethyl)-5-chlorobenzenesulfonamide.
What is the SMILES notation for 3-(bromomethyl)-5-chlorobenzenesulfonamide?
The canonical SMILES for 3-(bromomethyl)-5-chlorobenzenesulfonamide is NS(=O)(=O)c1cc(Cl)cc(CBr)c1.
What is the InChIKey of 3-(bromomethyl)-5-chlorobenzenesulfonamide?
The InChIKey is YQGMJGREFKWWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c8-4-5-1-6(9)3-7(2-5)13(10,11)12/h1-3H,4H2,(H2,10,11,12).
What are the key properties of 3-(bromomethyl)-5-chlorobenzenesulfonamide?
3-(bromomethyl)-5-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 3-(bromomethyl)-5-chlorobenzenesulfonamide is sourced from PubChem (CID 124707365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).