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

C9H12BrNO2S — CID 90319364

IUPAC2-(2-bromophenyl)propane-1-sulfonamide
SMILESCC(CS(N)(=O)=O)c1ccccc1Br
InChIInChI=1S/C9H12BrNO2S/c1-7(6-14(11,12)13)8-4-2-3-5-9(8)10/h2-5,7H,6H2,1H3,(H2,11,12,13)
InChIKeyYNWQJVXHZHNVRC-UHFFFAOYSA-N
MW278.17 g/mol
LogP1.84
Rot. Bonds3

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

2-(2-bromophenyl)propane-1-sulfonamide (PubChem CID 90319364) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is 2-(2-bromophenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name2-(2-bromophenyl)propane-1-sulfonamide
PubChem CID90319364
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC Name2-(2-bromophenyl)propane-1-sulfonamide
SMILESCC(CS(N)(=O)=O)c1ccccc1Br
InChIInChI=1S/C9H12BrNO2S/c1-7(6-14(11,12)13)8-4-2-3-5-9(8)10/h2-5,7H,6H2,1H3,(H2,11,12,13)
InChIKeyYNWQJVXHZHNVRC-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)propane-1-sulfonamide
CID 90319363
2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
CID 43551890
4-(2-bromophenyl)-2-methylpentan-2-amine
CID 83913148
1-bromo-2-heptan-2-ylbenzene
CID 59216916
ethyl 3-(2-bromophenyl)butanoate
CID 21217383
N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 81397530
1-bromo-2-[(2R)-nonan-2-yl]benzene
CID 139715975
1-[3-[(2R)-2-(2-bromophenyl)propyl]sulfonylpropyl]pyrimidine-2,4-dione
CID 58218130
2-(1-methylsulfonylpropan-2-yl)aniline
CID 115028443
2-amino-1-(2-bromophenyl)propane-1-sulfonic acid
CID 141352455
1-bromo-2-hex-4-yn-2-ylbenzene
CID 83924125
3-(2-bromophenyl)-N-methylbutan-1-amine
CID 83693034

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)propane-1-sulfonamide?
The IUPAC name of 2-(2-bromophenyl)propane-1-sulfonamide (CID 90319364) is 2-(2-bromophenyl)propane-1-sulfonamide.
What is the SMILES notation for 2-(2-bromophenyl)propane-1-sulfonamide?
The canonical SMILES for 2-(2-bromophenyl)propane-1-sulfonamide is CC(CS(N)(=O)=O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)propane-1-sulfonamide?
The InChIKey is YNWQJVXHZHNVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c1-7(6-14(11,12)13)8-4-2-3-5-9(8)10/h2-5,7H,6H2,1H3,(H2,11,12,13).
What are the key properties of 2-(2-bromophenyl)propane-1-sulfonamide?
2-(2-bromophenyl)propane-1-sulfonamide has a molecular weight of 278.17 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)propane-1-sulfonamide is sourced from PubChem (CID 90319364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).