4-bromo-2-(1-bromoethyl)benzenesulfonamide

C8H9Br2NO2S — CID 174997460

IUPAC4-bromo-2-(1-bromoethyl)benzenesulfonamide
SMILESCC(Br)c1cc(Br)ccc1S(N)(=O)=O
InChIInChI=1S/C8H9Br2NO2S/c1-5(9)7-4-6(10)2-3-8(7)14(11,12)13/h2-5H,1H3,(H2,11,12,13)
InChIKeyNQOQARXOVWVXOL-UHFFFAOYSA-N
MW343.04 g/mol
LogP2.55
Rot. Bonds2

About 4-bromo-2-(1-bromoethyl)benzenesulfonamide

4-bromo-2-(1-bromoethyl)benzenesulfonamide (PubChem CID 174997460) has the molecular formula C8H9Br2NO2S and a molecular weight of 343.04 g/mol. Its IUPAC name is 4-bromo-2-(1-bromoethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-(1-bromoethyl)benzenesulfonamide
PubChem CID174997460
Molecular FormulaC8H9Br2NO2S
Molecular Weight343.04 g/mol
Exact Mass340.87
IUPAC Name4-bromo-2-(1-bromoethyl)benzenesulfonamide
SMILESCC(Br)c1cc(Br)ccc1S(N)(=O)=O
InChIInChI=1S/C8H9Br2NO2S/c1-5(9)7-4-6(10)2-3-8(7)14(11,12)13/h2-5H,1H3,(H2,11,12,13)
InChIKeyNQOQARXOVWVXOL-UHFFFAOYSA-N
XLogP2.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.04
LogP ≤ 52.55
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-bromo-2-methoxybenzenesulfonamide
CID 21129172
2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide
CID 115928526
4-bromo-2-[(1R)-1-bromoethyl]benzonitrile
CID 125469489
4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene
CID 155661812
3-(5-bromo-2-methylsulfonylphenyl)butanal
CID 117490531
2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43257152
2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide
CID 66619301
2-(2-bromopentan-3-yl)benzenesulfonamide
CID 63203612
2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide
CID 66619434
5-bromo-2-butan-2-ylsulfonylaniline
CID 81185112
5-bromo-2-methylsulfonylaniline;ethane
CID 145185380
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-bromoethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-(1-bromoethyl)benzenesulfonamide (CID 174997460) is 4-bromo-2-(1-bromoethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-(1-bromoethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-(1-bromoethyl)benzenesulfonamide is CC(Br)c1cc(Br)ccc1S(N)(=O)=O.
What is the InChIKey of 4-bromo-2-(1-bromoethyl)benzenesulfonamide?
The InChIKey is NQOQARXOVWVXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NO2S/c1-5(9)7-4-6(10)2-3-8(7)14(11,12)13/h2-5H,1H3,(H2,11,12,13).
What are the key properties of 4-bromo-2-(1-bromoethyl)benzenesulfonamide?
4-bromo-2-(1-bromoethyl)benzenesulfonamide has a molecular weight of 343.04 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-bromoethyl)benzenesulfonamide is sourced from PubChem (CID 174997460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).