3-bromo-5-(chloromethyl)benzenesulfonamide

C7H7BrClNO2S — CID 103597604

IUPAC3-bromo-5-(chloromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(CCl)c1
InChIInChI=1S/C7H7BrClNO2S/c8-6-1-5(4-9)2-7(3-6)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyVJPFBFRDHPTVLX-UHFFFAOYSA-N
MW284.56 g/mol
LogP1.84
Rot. Bonds2

About 3-bromo-5-(chloromethyl)benzenesulfonamide

3-bromo-5-(chloromethyl)benzenesulfonamide (PubChem CID 103597604) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 3-bromo-5-(chloromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-(chloromethyl)benzenesulfonamide
PubChem CID103597604
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name3-bromo-5-(chloromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(CCl)c1
InChIInChI=1S/C7H7BrClNO2S/c8-6-1-5(4-9)2-7(3-6)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyVJPFBFRDHPTVLX-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

3-Bromo-5-methylbenzenesulfonyl chloride
CID 24728161
2-Bromo-4-(chloromethyl)benzenesulfonyl chloride
CID 177800418
3-Bromo-5-trifluoromethylbenzenesulfonamide
CID 21895504
3-Bromo-5-(fluoromethyl)benzenesulfonamide
CID 67059048
5-bromo-3-(chloromethyl)-2-fluoro-N,N-dimethylbenzenesulfonamide
CID 65744541
5-bromo-3-(chloromethyl)-N,N-diethyl-2-fluorobenzenesulfonamide
CID 65744624
5-bromo-3-(chloromethyl)-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 65744675
5-bromo-3-(chloromethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 65754074
5-bromo-3-(chloromethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 65755455
5-bromo-3-(chloromethyl)-2-fluoro-N-propylbenzenesulfonamide
CID 65756051
5-bromo-3-(chloromethyl)-2-fluoro-N-propan-2-ylbenzenesulfonamide
CID 65756448
5-bromo-3-(chloromethyl)-2-fluoro-N-methyl-N-propylbenzenesulfonamide
CID 65777463

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(chloromethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-5-(chloromethyl)benzenesulfonamide (CID 103597604) is 3-bromo-5-(chloromethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-5-(chloromethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-5-(chloromethyl)benzenesulfonamide is NS(=O)(=O)c1cc(Br)cc(CCl)c1.
What is the InChIKey of 3-bromo-5-(chloromethyl)benzenesulfonamide?
The InChIKey is VJPFBFRDHPTVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c8-6-1-5(4-9)2-7(3-6)13(10,11)12/h1-3H,4H2,(H2,10,11,12).
What are the key properties of 3-bromo-5-(chloromethyl)benzenesulfonamide?
3-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 3-bromo-5-(chloromethyl)benzenesulfonamide is sourced from PubChem (CID 103597604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).