2-(bromomethyl)-6-chlorobenzenesulfonamide

C7H7BrClNO2S — CID 125468093

IUPAC2-(bromomethyl)-6-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Cl)cccc1CBr
InChIInChI=1S/C7H7BrClNO2S/c8-4-5-2-1-3-6(9)7(5)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyUBIWWFHNSWFSJK-UHFFFAOYSA-N
MW284.56 g/mol
LogP1.88
Rot. Bonds2

About 2-(bromomethyl)-6-chlorobenzenesulfonamide

2-(bromomethyl)-6-chlorobenzenesulfonamide (PubChem CID 125468093) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 2-(bromomethyl)-6-chlorobenzenesulfonamide.

Molecular Properties

Compound Name2-(bromomethyl)-6-chlorobenzenesulfonamide
PubChem CID125468093
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name2-(bromomethyl)-6-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Cl)cccc1CBr
InChIInChI=1S/C7H7BrClNO2S/c8-4-5-2-1-3-6(9)7(5)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyUBIWWFHNSWFSJK-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

2-Chloro-6-methylbenzene-1-sulfonyl chloride
CID 15725370
2-Chloro-6-methylbenzene-1-sulfonamide
CID 19957968
5-Chloro-o-toluenesulfonamide
CID 253803
2-Chloro-4-methylbenzene-1-sulfonamide
CID 16787667
2-(Bromomethyl)-4-chlorobenzenesulfonyl fluoride
CID 303935
Benzenesulfonylfluoride, 2-(bromomethyl)-6-chloro-
CID 308443
2-Chloro-6-(1-Fluoroethyl)Benzenesulfonamide
CID 19912246
2-Chloro-6-(trifluoromethyl)benzene-1-sulfonamide
CID 43363673
2-Chloro-6-methylbenzene-1-sulfonyl fluoride
CID 57430800
2-Chloro-6-(2-fluoroethyl)benzenesulfonamide
CID 67825200
Sodium 2-chloro-6-methylbenzenesulfonate
CID 53438049
2-Chloro-3-fluoro-6-methylbenzenesulfonamide
CID 118999523

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-chlorobenzenesulfonamide?
The IUPAC name of 2-(bromomethyl)-6-chlorobenzenesulfonamide (CID 125468093) is 2-(bromomethyl)-6-chlorobenzenesulfonamide.
What is the SMILES notation for 2-(bromomethyl)-6-chlorobenzenesulfonamide?
The canonical SMILES for 2-(bromomethyl)-6-chlorobenzenesulfonamide is NS(=O)(=O)c1c(Cl)cccc1CBr.
What is the InChIKey of 2-(bromomethyl)-6-chlorobenzenesulfonamide?
The InChIKey is UBIWWFHNSWFSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c8-4-5-2-1-3-6(9)7(5)13(10,11)12/h1-3H,4H2,(H2,10,11,12).
What are the key properties of 2-(bromomethyl)-6-chlorobenzenesulfonamide?
2-(bromomethyl)-6-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 2-(bromomethyl)-6-chlorobenzenesulfonamide is sourced from PubChem (CID 125468093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).