N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide

C11H17NO3S — CID 115875785

IUPACN-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)C(C)CO
InChIInChI=1S/C11H17NO3S/c1-9-6-4-5-7-11(9)16(14,15)12(3)10(2)8-13/h4-7,10,13H,8H2,1-3H3
InChIKeyIZFDHYDMZROKPW-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.00
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide

N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide (PubChem CID 115875785) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
PubChem CID115875785
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)C(C)CO
InChIInChI=1S/C11H17NO3S/c1-9-6-4-5-7-11(9)16(14,15)12(3)10(2)8-13/h4-7,10,13H,8H2,1-3H3
InChIKeyIZFDHYDMZROKPW-UHFFFAOYSA-N
XLogP1.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-hydroxypropan-2-yl)-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

N-(1-hydroxypropan-2-yl)-N,2-dimethyl-3-nitrobenzenesulfonamide
CID 112706312
2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol
CID 112548547
N,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
CID 67516363
2-methylbenzenesulfonic acid;propane-1,2,3-triol
CID 174914041
2-methylbenzenesulfonate;tetramethylphosphanium
CID 22725746
N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
CID 115317722
2-amino-N-butan-2-yl-N-methylbenzenesulfonamide
CID 43272487
N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795824
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 79023963
N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 97083157
2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 115776360
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 104551016

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide (CID 115875785) is N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)N(C)C(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is IZFDHYDMZROKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9-6-4-5-7-11(9)16(14,15)12(3)10(2)8-13/h4-7,10,13H,8H2,1-3H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide?
N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 115875785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).