N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide

C11H20N2O3S — CID 106353453

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide
SMILESCC(C)(C)C(CCO)NS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C11H20N2O3S/c1-11(2,3)10(5-7-14)13-17(15,16)9-4-6-12-8-9/h4,6,8,10,12-14H,5,7H2,1-3H3
InChIKeyMJMPJJYAJLWUMH-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.09
Rot. Bonds5

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 106353453) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide
PubChem CID106353453
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide
SMILESCC(C)(C)C(CCO)NS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C11H20N2O3S/c1-11(2,3)10(5-7-14)13-17(15,16)9-4-6-12-8-9/h4,6,8,10,12-14H,5,7H2,1-3H3
InChIKeyMJMPJJYAJLWUMH-UHFFFAOYSA-N
XLogP1.09
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide
CID 106352667
N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide
CID 159847586
4-(bromomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106353477
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide
CID 103833861
3,4-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 75431301
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103833742
2,3,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833824
N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide
CID 106143797
4-bromo-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 104919134
N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide
CID 115363011
3-chloro-4-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833830
N-(2-hydroxyethyl)-1H-pyrrole-3-sulfonamide
CID 43501955

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide (CID 106353453) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide is CC(C)(C)C(CCO)NS(=O)(=O)c1cc[nH]c1.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is MJMPJJYAJLWUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-11(2,3)10(5-7-14)13-17(15,16)9-4-6-12-8-9/h4,6,8,10,12-14H,5,7H2,1-3H3.
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106353453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).