N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide

C9H16N2O3S — CID 115363011

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide
SMILESCC(C)(CO)CNS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C9H16N2O3S/c1-9(2,7-12)6-11-15(13,14)8-3-4-10-5-8/h3-5,10-12H,6-7H2,1-2H3
InChIKeyPSZFIMZTHVMFSQ-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.31
Rot. Bonds5

About N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide

N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide (PubChem CID 115363011) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide
PubChem CID115363011
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide
SMILESCC(C)(CO)CNS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C9H16N2O3S/c1-9(2,7-12)6-11-15(13,14)8-3-4-10-5-8/h3-5,10-12H,6-7H2,1-2H3
InChIKeyPSZFIMZTHVMFSQ-UHFFFAOYSA-N
XLogP0.31
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-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-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide
CID 106143797
N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362987
4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362965
N-(3-hydroxy-2,2-dimethylpropyl)-4-methylbenzenesulfonamide
CID 5174849
N-(2-hydroxyethyl)-1H-pyrrole-3-sulfonamide
CID 43501955
2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol
CID 116855267
5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 115361937
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide
CID 106353453
(E)-3-[4-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 115358296
N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-nitrobenzenesulfonamide
CID 115363046
N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide
CID 106288400
3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-4-methoxybenzenesulfonamide
CID 115363072

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide (CID 115363011) is N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide is CC(C)(CO)CNS(=O)(=O)c1cc[nH]c1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is PSZFIMZTHVMFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-9(2,7-12)6-11-15(13,14)8-3-4-10-5-8/h3-5,10-12H,6-7H2,1-2H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide?
N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 232.30 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 115363011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).