5-(bromomethyl)-2-chloro-4-fluorobenzenesulfonamide

C7H6BrClFNO2S — CID 125467639

IUPAC5-(bromomethyl)-2-chloro-4-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(CBr)c(F)cc1Cl
InChIInChI=1S/C7H6BrClFNO2S/c8-3-4-1-7(14(11,12)13)5(9)2-6(4)10/h1-2H,3H2,(H2,11,12,13)
InChIKeyITNBMJFTQKFSTR-UHFFFAOYSA-N
MW302.55 g/mol
LogP2.02
Rot. Bonds2

About 5-(bromomethyl)-2-chloro-4-fluorobenzenesulfonamide

5-(bromomethyl)-2-chloro-4-fluorobenzenesulfonamide (PubChem CID 125467639) has the molecular formula C7H6BrClFNO2S and a molecular weight of 302.55 g/mol. Its IUPAC name is 5-(bromomethyl)-2-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(bromomethyl)-2-chloro-4-fluorobenzenesulfonamide
PubChem CID125467639
Molecular FormulaC7H6BrClFNO2S
Molecular Weight302.55 g/mol
Exact Mass300.90
IUPAC Name5-(bromomethyl)-2-chloro-4-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(CBr)c(F)cc1Cl
InChIInChI=1S/C7H6BrClFNO2S/c8-3-4-1-7(14(11,12)13)5(9)2-6(4)10/h1-2H,3H2,(H2,11,12,13)
InChIKeyITNBMJFTQKFSTR-UHFFFAOYSA-N
XLogP2.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 52.02
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

4-Chloro-m-toluenesulfonamide
CID 222557
2-Chloro-5-trifluoromethyl-benzenesulfonamide
CID 4131856
5-(Bromomethyl)-2-chlorobenzenesulfonyl fluoride
CID 303936
2-Chloro-4-fluoro-5-methylbenzenesulfonamide
CID 50998098
5-(Bromomethyl)-4-chloro-2-fluorobenzenesulfonamide
CID 66740719
2-Chloro-6-fluoro-3-methylbenzenesulfonamide
CID 67529703
6-Chloro-2-fluoro-3-methylbenzenesulfonamide
CID 67530426
2-Chloro-4-fluoro-3-methylbenzenesulfonamide
CID 119001891
2-Chloro-5-fluoro-3-methylbenzenesulfonamide
CID 119005031
5-(2-Bromoethyl)-4-chloro-2-fluorobenzenesulfonamide
CID 174653018
2-Chloro-5-trifluoromethyl-benZenesulfonyl hydraZide
CID 17950821
2-Chloro-4-fluoro-5-methylbenzenesulfonyl chloride
CID 50998026

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of 5-(bromomethyl)-2-chloro-4-fluorobenzenesulfonamide (CID 125467639) is 5-(bromomethyl)-2-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-(bromomethyl)-2-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-(bromomethyl)-2-chloro-4-fluorobenzenesulfonamide is NS(=O)(=O)c1cc(CBr)c(F)cc1Cl.
What is the InChIKey of 5-(bromomethyl)-2-chloro-4-fluorobenzenesulfonamide?
The InChIKey is ITNBMJFTQKFSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClFNO2S/c8-3-4-1-7(14(11,12)13)5(9)2-6(4)10/h1-2H,3H2,(H2,11,12,13).
What are the key properties of 5-(bromomethyl)-2-chloro-4-fluorobenzenesulfonamide?
5-(bromomethyl)-2-chloro-4-fluorobenzenesulfonamide has a molecular weight of 302.55 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 125467639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).