3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

C10H16N2O3S — CID 43498666

IUPAC3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C10H16N2O3S/c1-10(2,7-13)12-16(14,15)9-5-3-4-8(11)6-9/h3-6,12-13H,7,11H2,1-2H3
InChIKeyXAVRFXPTWGHERT-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.32
Rot. Bonds4

About 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 43498666) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID43498666
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C10H16N2O3S/c1-10(2,7-13)12-16(14,15)9-5-3-4-8(11)6-9/h3-6,12-13H,7,11H2,1-2H3
InChIKeyXAVRFXPTWGHERT-UHFFFAOYSA-N
XLogP0.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)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

3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 16790437
2-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]guanidine
CID 68936157
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81438341
N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
CID 43501788
4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid
CID 102930936
3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79551722
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 106606276
2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 1154512
tert-butyl 3-[(3-aminophenyl)sulfonylamino]propanoate
CID 70153486
4-amino-2,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54889018
3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868507
4-[(3-aminophenyl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 122126369

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (CID 43498666) is 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is CC(C)(CO)NS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is XAVRFXPTWGHERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-10(2,7-13)12-16(14,15)9-5-3-4-8(11)6-9/h3-6,12-13H,7,11H2,1-2H3.
What are the key properties of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43498666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).