1-(2-bromophenyl)ethanesulfonamide

C8H10BrNO2S — CID 62084924

IUPAC1-(2-bromophenyl)ethanesulfonamide
SMILESCC(c1ccccc1Br)S(N)(=O)=O
InChIInChI=1S/C8H10BrNO2S/c1-6(13(10,11)12)7-4-2-3-5-8(7)9/h2-6H,1H3,(H2,10,11,12)
InChIKeyIQIWTQYRAGCKBF-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.80
Rot. Bonds2

About 1-(2-bromophenyl)ethanesulfonamide

1-(2-bromophenyl)ethanesulfonamide (PubChem CID 62084924) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 1-(2-bromophenyl)ethanesulfonamide.

Molecular Properties

Compound Name1-(2-bromophenyl)ethanesulfonamide
PubChem CID62084924
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name1-(2-bromophenyl)ethanesulfonamide
SMILESCC(c1ccccc1Br)S(N)(=O)=O
InChIInChI=1S/C8H10BrNO2S/c1-6(13(10,11)12)7-4-2-3-5-8(7)9/h2-6H,1H3,(H2,10,11,12)
InChIKeyIQIWTQYRAGCKBF-UHFFFAOYSA-N
XLogP1.80
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzeneethanesulfonamide
CID 204808
3-Phenylpropane-1-sulfonamide
CID 12574638
(2-Bromophenyl)difluoromethanesulfonamide
CID 44405179
(4-Bromophenyl)methanesulfonyl chloride
CID 598764
2-(2-bromophenyl)-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide
CID 91414022
1-Bromo-4-((methylsulfonyl)methyl)benzene
CID 2761415
(E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride
CID 155525093
1-(4-Bromophenyl)-N-propylmethanesulfonamide
CID 17741333
4-Bromo-3-methylbenzenesulfonamide
CID 2737409
(3-bromophenyl)methanesulfonyl Chloride
CID 2761451
(2-Bromophenyl)methanesulfonyl chloride
CID 2761452
1-Phenylethane-1-sulfonamide
CID 11275445

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)ethanesulfonamide?
The IUPAC name of 1-(2-bromophenyl)ethanesulfonamide (CID 62084924) is 1-(2-bromophenyl)ethanesulfonamide.
What is the SMILES notation for 1-(2-bromophenyl)ethanesulfonamide?
The canonical SMILES for 1-(2-bromophenyl)ethanesulfonamide is CC(c1ccccc1Br)S(N)(=O)=O.
What is the InChIKey of 1-(2-bromophenyl)ethanesulfonamide?
The InChIKey is IQIWTQYRAGCKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-6(13(10,11)12)7-4-2-3-5-8(7)9/h2-6H,1H3,(H2,10,11,12).
What are the key properties of 1-(2-bromophenyl)ethanesulfonamide?
1-(2-bromophenyl)ethanesulfonamide has a molecular weight of 264.14 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)ethanesulfonamide is sourced from PubChem (CID 62084924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).