5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide

C12H18BrNO3S — CID 79386697

IUPAC5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C12H18BrNO3S/c1-9-5-6-10(13)7-11(9)18(16,17)14(4)8-12(2,3)15/h5-7,15H,8H2,1-4H3
InChIKeyWWGOYAKXBDXRIZ-UHFFFAOYSA-N
MW336.25 g/mol
LogP2.15
Rot. Bonds4

About 5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide

5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 79386697) has the molecular formula C12H18BrNO3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide
PubChem CID79386697
Molecular FormulaC12H18BrNO3S
Molecular Weight336.25 g/mol
Exact Mass335.02
IUPAC Name5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C12H18BrNO3S/c1-9-5-6-10(13)7-11(9)18(16,17)14(4)8-12(2,3)15/h5-7,15H,8H2,1-4H3
InChIKeyWWGOYAKXBDXRIZ-UHFFFAOYSA-N
XLogP2.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 75509763
4-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387516
5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
CID 62334094
3-[(5-bromo-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 113230949
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylbenzenesulfonamide
CID 63420338
2-[(5-bromo-2-methylphenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62817848
5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 61068907
3-amino-4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 113288382
5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 79377760
5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 47387662
5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892303
5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 63420895

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide (CID 79386697) is 5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)N(C)CC(C)(C)O.
What is the InChIKey of 5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is WWGOYAKXBDXRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3S/c1-9-5-6-10(13)7-11(9)18(16,17)14(4)8-12(2,3)15/h5-7,15H,8H2,1-4H3.
What are the key properties of 5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide?
5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 336.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 79386697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).