3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide

C10H14BrNO2S — CID 7510199

IUPAC3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-3-8(2)12-15(13,14)10-6-4-5-9(11)7-10/h4-8,12H,3H2,1-2H3/t8-/m0/s1
InChIKeyZCDRZWVWCZZXSP-QMMMGPOBSA-N
MW292.20 g/mol
LogP2.53
Rot. Bonds4

About 3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide

3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide (PubChem CID 7510199) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
PubChem CID7510199
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-3-8(2)12-15(13,14)10-6-4-5-9(11)7-10/h4-8,12H,3H2,1-2H3/t8-/m0/s1
InChIKeyZCDRZWVWCZZXSP-QMMMGPOBSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510419
3-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64642680
3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8716846
3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 60639559
3-bromo-N-(1-cyanobutan-2-yl)benzenesulfonamide
CID 62648307
(2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 8800873
3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide
CID 67008794
3-bromo-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide
CID 5147367
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide
CID 95246466
3-[(3-bromophenyl)sulfonylamino]pentanethioamide
CID 55101638
3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 26966432

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide (CID 7510199) is 3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide is CC[C@H](C)NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide?
The InChIKey is ZCDRZWVWCZZXSP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-3-8(2)12-15(13,14)10-6-4-5-9(11)7-10/h4-8,12H,3H2,1-2H3/t8-/m0/s1.
What are the key properties of 3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide?
3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 7510199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).