N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide

C10H18N2O3S — CID 106143797

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide
SMILESCC(C)(CCO)CNS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C10H18N2O3S/c1-10(2,4-6-13)8-12-16(14,15)9-3-5-11-7-9/h3,5,7,11-13H,4,6,8H2,1-2H3
InChIKeyRXNKVGIHFPJDFL-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.70
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide

N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106143797) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide
PubChem CID106143797
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide
SMILESCC(C)(CCO)CNS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C10H18N2O3S/c1-10(2,4-6-13)8-12-16(14,15)9-3-5-11-7-9/h3,5,7,11-13H,4,6,8H2,1-2H3
InChIKeyRXNKVGIHFPJDFL-UHFFFAOYSA-N
XLogP0.70
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide
CID 115363011
N-(2-hydroxyethyl)-1H-pyrrole-3-sulfonamide
CID 43501955
4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzenesulfonamide
CID 113318758
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide
CID 106353453
3-amino-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139850
N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
CID 103896593
N-(4-hydroxy-2,2-dimethylbutyl)-3-propanoylbenzenesulfonamide
CID 103836509
4-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)-3-nitrobenzenesulfonamide
CID 106143830
N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide
CID 106144652
N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide
CID 113347933
5-amino-2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139709
2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol
CID 116855267

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide (CID 106143797) is N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide is CC(C)(CCO)CNS(=O)(=O)c1cc[nH]c1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is RXNKVGIHFPJDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-10(2,4-6-13)8-12-16(14,15)9-3-5-11-7-9/h3,5,7,11-13H,4,6,8H2,1-2H3.
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide?
N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 246.33 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106143797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).