2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide

C11H18N2O3S — CID 115360899

IUPAC2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide
SMILESCC(C)(CO)CNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O3S/c1-11(2,8-14)7-13-9-5-3-4-6-10(9)17(12,15)16/h3-6,13-14H,7-8H2,1-2H3,(H2,12,15,16)
InChIKeyIZHNPTQZWVQKEW-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.76
Rot. Bonds5

About 2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide

2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide (PubChem CID 115360899) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide
PubChem CID115360899
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide
SMILESCC(C)(CO)CNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O3S/c1-11(2,8-14)7-13-9-5-3-4-6-10(9)17(12,15)16/h3-6,13-14H,7-8H2,1-2H3,(H2,12,15,16)
InChIKeyIZHNPTQZWVQKEW-UHFFFAOYSA-N
XLogP0.76
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide 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-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662
3-(2-bromoanilino)-2,2-dimethylpropan-1-ol
CID 81414093
3-(2-ethylanilino)-2,2-dimethylpropan-1-ol
CID 81414834
2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide
CID 114384513
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide
CID 105058453
2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide
CID 106293975
3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2-methylbenzenesulfonamide
CID 81419909
2-hydroxy-3-(2-sulfamoylanilino)propanamide
CID 106170840
2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 113327785
2-methyl-2-(methylamino)-N-(2-sulfamoylphenyl)propanamide
CID 62845991
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide
CID 115992256

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide?
The IUPAC name of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide (CID 115360899) is 2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide?
The canonical SMILES for 2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide is CC(C)(CO)CNc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide?
The InChIKey is IZHNPTQZWVQKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-11(2,8-14)7-13-9-5-3-4-6-10(9)17(12,15)16/h3-6,13-14H,7-8H2,1-2H3,(H2,12,15,16).
What are the key properties of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide?
2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide is sourced from PubChem (CID 115360899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).