4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide

C12H16BrNO3S — CID 94909084

IUPAC4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@](O)(CNS(=O)(=O)c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C12H16BrNO3S/c1-12(15,9-2-3-9)8-14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,14-15H,2-3,8H2,1H3/t12-/m1/s1
InChIKeyIWOIMSJCRXKURW-GFCCVEGCSA-N
MW334.24 g/mol
LogP1.89
Rot. Bonds5

About 4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide

4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide (PubChem CID 94909084) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide
PubChem CID94909084
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@](O)(CNS(=O)(=O)c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C12H16BrNO3S/c1-12(15,9-2-3-9)8-14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,14-15H,2-3,8H2,1H3/t12-/m1/s1
InChIKeyIWOIMSJCRXKURW-GFCCVEGCSA-N
XLogP1.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 90499351
N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
CID 90499346
N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 90499413
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 52992777
4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95368070
N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 90499355
N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide
CID 90499360
4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112504851
4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
CID 113434225
2-[1-[(4-bromophenyl)sulfonylamino]-2-methylpropan-2-yl]oxy-2-oxoacetic acid
CID 164665320
4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 113090353
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide
CID 97355129

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide (CID 94909084) is 4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide is C[C@@](O)(CNS(=O)(=O)c1ccc(Br)cc1)C1CC1.
What is the InChIKey of 4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is IWOIMSJCRXKURW-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c1-12(15,9-2-3-9)8-14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,14-15H,2-3,8H2,1H3/t12-/m1/s1.
What are the key properties of 4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide?
4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 334.24 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 94909084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).