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

C12H17BrClNO3S — CID 106546665

IUPAC3-bromo-4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H17BrClNO3S/c1-11(2,12(3,4)16)15-19(17,18)8-5-6-10(14)9(13)7-8/h5-7,15-16H,1-4H3
InChIKeyCNDJGQKVQOXMOX-UHFFFAOYSA-N
MW370.70 g/mol
LogP2.93
Rot. Bonds4

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

3-bromo-4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide (PubChem CID 106546665) has the molecular formula C12H17BrClNO3S and a molecular weight of 370.70 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
PubChem CID106546665
Molecular FormulaC12H17BrClNO3S
Molecular Weight370.70 g/mol
Exact Mass368.98
IUPAC Name3-bromo-4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H17BrClNO3S/c1-11(2,12(3,4)16)15-19(17,18)8-5-6-10(14)9(13)7-8/h5-7,15-16H,1-4H3
InChIKeyCNDJGQKVQOXMOX-UHFFFAOYSA-N
XLogP2.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.70
LogP ≤ 52.93
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-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 106606276
3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 106606381
3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 106546244
4-[(3-bromo-4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 106605335
3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351
3-[(3,4-dichlorophenyl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65265968
(2S)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 106605293
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide
CID 114155588
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzenesulfonamide
CID 104626488
tert-butyl (2S)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoate
CID 106546567

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide (CID 106546665) is 3-bromo-4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide is CC(C)(O)C(C)(C)NS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide?
The InChIKey is CNDJGQKVQOXMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO3S/c1-11(2,12(3,4)16)15-19(17,18)8-5-6-10(14)9(13)7-8/h5-7,15-16H,1-4H3.
What are the key properties of 3-bromo-4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide?
3-bromo-4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide has a molecular weight of 370.70 g/mol, XLogP of 2.93, 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-2,3-dimethylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106546665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).