N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide

C11H17NO3S — CID 94688171

IUPACN-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCO)cc1C
InChIInChI=1S/C11H17NO3S/c1-9-4-5-11(8-10(9)2)12-16(14,15)7-3-6-13/h4-5,8,12-13H,3,6-7H2,1-2H3
InChIKeyVKANEKYEGCDUKW-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.43
Rot. Bonds5

About N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide

N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide (PubChem CID 94688171) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide
PubChem CID94688171
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCO)cc1C
InChIInChI=1S/C11H17NO3S/c1-9-4-5-11(8-10(9)2)12-16(14,15)7-3-6-13/h4-5,8,12-13H,3,6-7H2,1-2H3
InChIKeyVKANEKYEGCDUKW-UHFFFAOYSA-N
XLogP1.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide 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

N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94717956
3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
CID 60909550
3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide
CID 94685063
N-(4-bromo-3,5-dimethylphenyl)-4-hydroxybutane-1-sulfonamide
CID 114135739
N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide
CID 54973592
N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
CID 64794580
N-(4-bromo-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106058558
3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide
CID 62813181
3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide
CID 114258136
N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106053295
N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide
CID 64794415
N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide
CID 114133599

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide (CID 94688171) is N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide is Cc1ccc(NS(=O)(=O)CCCO)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide?
The InChIKey is VKANEKYEGCDUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9-4-5-11(8-10(9)2)12-16(14,15)7-3-6-13/h4-5,8,12-13H,3,6-7H2,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide?
N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide is sourced from PubChem (CID 94688171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).