3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide

C11H15BrClNO3S — CID 106606381

IUPAC3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
SMILESCC(O)C(C)(C)NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H15BrClNO3S/c1-7(15)11(2,3)14-18(16,17)8-4-5-10(13)9(12)6-8/h4-7,14-15H,1-3H3
InChIKeyNQVHKQLLGSWWRV-UHFFFAOYSA-N
MW356.67 g/mol
LogP2.54
Rot. Bonds4

About 3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide

3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106606381) has the molecular formula C11H15BrClNO3S and a molecular weight of 356.67 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
PubChem CID106606381
Molecular FormulaC11H15BrClNO3S
Molecular Weight356.67 g/mol
Exact Mass354.96
IUPAC Name3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
SMILESCC(O)C(C)(C)NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H15BrClNO3S/c1-7(15)11(2,3)14-18(16,17)8-4-5-10(13)9(12)6-8/h4-7,14-15H,1-3H3
InChIKeyNQVHKQLLGSWWRV-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide
CID 106545074
3-bromo-4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106546665
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 106606276
3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 106546244
3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
4-[(3-bromo-4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 106605335
(2S)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 106605293
tert-butyl (2S)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoate
CID 106546567
tert-butyl (2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoate
CID 106546545
(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
CID 106605478
3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106611673

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide (CID 106606381) is 3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide is CC(O)C(C)(C)NS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is NQVHKQLLGSWWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO3S/c1-7(15)11(2,3)14-18(16,17)8-4-5-10(13)9(12)6-8/h4-7,14-15H,1-3H3.
What are the key properties of 3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide?
3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 356.67 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106606381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).