5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide

C11H16BrNO3S — CID 62334094

IUPAC5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C11H16BrNO3S/c1-8-4-5-10(12)6-11(8)17(15,16)13(3)7-9(2)14/h4-6,9,14H,7H2,1-3H3
InChIKeyONCBAGXFZXAYQW-UHFFFAOYSA-N
MW322.22 g/mol
LogP1.76
Rot. Bonds4

About 5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide

5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 62334094) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
PubChem CID62334094
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C11H16BrNO3S/c1-8-4-5-10(12)6-11(8)17(15,16)13(3)7-9(2)14/h4-6,9,14H,7H2,1-3H3
InChIKeyONCBAGXFZXAYQW-UHFFFAOYSA-N
XLogP1.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333139
5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide
CID 79386697
5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 63420895
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylbenzenesulfonamide
CID 63420338
5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 61068907
5-bromo-N,2-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60660954
3-[(5-bromo-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 113230949
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 83029794
5-bromo-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 61042574
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 118740633
5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 62336097

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide (CID 62334094) is 5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)N(C)CC(C)O.
What is the InChIKey of 5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is ONCBAGXFZXAYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-8-4-5-10(12)6-11(8)17(15,16)13(3)7-9(2)14/h4-6,9,14H,7H2,1-3H3.
What are the key properties of 5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide?
5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 322.22 g/mol, XLogP of 1.76, 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-hydroxypropyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 62334094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).