3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

C10H13BrClNO3S — CID 106546244

IUPAC3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H13BrClNO3S/c1-10(2,14)6-13-17(15,16)7-3-4-9(12)8(11)5-7/h3-5,13-14H,6H2,1-2H3
InChIKeyGBNZLRWJHMZMJW-UHFFFAOYSA-N
MW342.64 g/mol
LogP2.15
Rot. Bonds4

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

3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (PubChem CID 106546244) has the molecular formula C10H13BrClNO3S and a molecular weight of 342.64 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
PubChem CID106546244
Molecular FormulaC10H13BrClNO3S
Molecular Weight342.64 g/mol
Exact Mass340.95
IUPAC Name3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H13BrClNO3S/c1-10(2,14)6-13-17(15,16)7-3-4-9(12)8(11)5-7/h3-5,13-14H,6H2,1-2H3
InChIKeyGBNZLRWJHMZMJW-UHFFFAOYSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160
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-methylprop-2-enyl)benzenesulfonamide
CID 106546806
3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide
CID 106545074
3-bromo-4-chloro-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106546881
3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 106606381
3-chloro-4-(difluoromethoxy)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113256
4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 69020554
3-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoic acid
CID 106605107
3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65104000
3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708859

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (CID 106546244) is 3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is CC(C)(O)CNS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is GBNZLRWJHMZMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO3S/c1-10(2,14)6-13-17(15,16)7-3-4-9(12)8(11)5-7/h3-5,13-14H,6H2,1-2H3.
What are the key properties of 3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 342.64 g/mol, XLogP of 2.15, 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-(2-hydroxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 106546244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).