1-(2-bromophenyl)propane-1-sulfonamide

C9H12BrNO2S — CID 90319363

IUPAC1-(2-bromophenyl)propane-1-sulfonamide
SMILESCCC(c1ccccc1Br)S(N)(=O)=O
InChIInChI=1S/C9H12BrNO2S/c1-2-9(14(11,12)13)7-5-3-4-6-8(7)10/h3-6,9H,2H2,1H3,(H2,11,12,13)
InChIKeyFKVBDAOYGXBUEO-UHFFFAOYSA-N
MW278.17 g/mol
LogP2.19
Rot. Bonds3

About 1-(2-bromophenyl)propane-1-sulfonamide

1-(2-bromophenyl)propane-1-sulfonamide (PubChem CID 90319363) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is 1-(2-bromophenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-(2-bromophenyl)propane-1-sulfonamide
PubChem CID90319363
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC Name1-(2-bromophenyl)propane-1-sulfonamide
SMILESCCC(c1ccccc1Br)S(N)(=O)=O
InChIInChI=1S/C9H12BrNO2S/c1-2-9(14(11,12)13)7-5-3-4-6-8(7)10/h3-6,9H,2H2,1H3,(H2,11,12,13)
InChIKeyFKVBDAOYGXBUEO-UHFFFAOYSA-N
XLogP2.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)propane-1-sulfonamide
CID 90319364
1-azulen-1-ylpropane-1-sulfonamide
CID 141268908
1-(2-phenylmethoxyphenyl)propane-1-sulfonamide
CID 22356826
2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
CID 43551890
2-(2-bromopentan-3-yl)benzenesulfonamide
CID 63203612
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)butan-2-amine
CID 63658849
1-amino-2-(2-bromophenyl)-4-methylsulfonylpentan-3-ol
CID 104522710
1-(2-bromophenyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 62629071
2-amino-1-(2-bromophenyl)propane-1-sulfonic acid
CID 141352455
(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol
CID 103778600
(2-bromophenyl)methanediamine
CID 22286781

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)propane-1-sulfonamide?
The IUPAC name of 1-(2-bromophenyl)propane-1-sulfonamide (CID 90319363) is 1-(2-bromophenyl)propane-1-sulfonamide.
What is the SMILES notation for 1-(2-bromophenyl)propane-1-sulfonamide?
The canonical SMILES for 1-(2-bromophenyl)propane-1-sulfonamide is CCC(c1ccccc1Br)S(N)(=O)=O.
What is the InChIKey of 1-(2-bromophenyl)propane-1-sulfonamide?
The InChIKey is FKVBDAOYGXBUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c1-2-9(14(11,12)13)7-5-3-4-6-8(7)10/h3-6,9H,2H2,1H3,(H2,11,12,13).
What are the key properties of 1-(2-bromophenyl)propane-1-sulfonamide?
1-(2-bromophenyl)propane-1-sulfonamide has a molecular weight of 278.17 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)propane-1-sulfonamide is sourced from PubChem (CID 90319363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).