2-bromo-5-(chloromethyl)benzenesulfonamide

C7H7BrClNO2S — CID 103597603

IUPAC2-bromo-5-(chloromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(CCl)ccc1Br
InChIInChI=1S/C7H7BrClNO2S/c8-6-2-1-5(4-9)3-7(6)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyPJMZGWPSVAXIEV-UHFFFAOYSA-N
MW284.56 g/mol
LogP1.84
Rot. Bonds2

About 2-bromo-5-(chloromethyl)benzenesulfonamide

2-bromo-5-(chloromethyl)benzenesulfonamide (PubChem CID 103597603) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 2-bromo-5-(chloromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-(chloromethyl)benzenesulfonamide
PubChem CID103597603
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name2-bromo-5-(chloromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(CCl)ccc1Br
InChIInChI=1S/C7H7BrClNO2S/c8-6-2-1-5(4-9)3-7(6)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyPJMZGWPSVAXIEV-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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-Bromo-5-methylbenzene-1-sulfonamide
CID 14664790
2-Bromo-5-methylbenzene-1-sulfonyl chloride
CID 15155338
2-Bromo-4-(chloromethyl)benzenesulfonyl chloride
CID 177800418
2-Bromo-5-(trifluoromethyl)benzenesulfonamide
CID 2778395
2-bromo-5-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65756193
2-bromo-5-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65756291
2-bromo-5-(chloromethyl)-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 65757208
2-bromo-5-(chloromethyl)-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide
CID 113503229
2-Bromo-4-fluoro-5-methylbenzenesulfonamide
CID 129963610
2-Bromo-3-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 131350802
6-Bromo-2-fluoro-3-methylbenzene-1-sulfonamide
CID 131564859
2-Bromo-3-fluoro-5-methylbenzenesulfonamide
CID 131564870

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(chloromethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-5-(chloromethyl)benzenesulfonamide (CID 103597603) is 2-bromo-5-(chloromethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-5-(chloromethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-5-(chloromethyl)benzenesulfonamide is NS(=O)(=O)c1cc(CCl)ccc1Br.
What is the InChIKey of 2-bromo-5-(chloromethyl)benzenesulfonamide?
The InChIKey is PJMZGWPSVAXIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c8-6-2-1-5(4-9)3-7(6)13(10,11)12/h1-3H,4H2,(H2,10,11,12).
What are the key properties of 2-bromo-5-(chloromethyl)benzenesulfonamide?
2-bromo-5-(chloromethyl)benzenesulfonamide has a molecular weight of 284.56 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(chloromethyl)benzenesulfonamide is sourced from PubChem (CID 103597603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).