N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide

C8H14N2O3S — CID 43501601

IUPACN-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCCC(CO)NS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C8H14N2O3S/c1-2-7(6-11)10-14(12,13)8-3-4-9-5-8/h3-5,7,9-11H,2,6H2,1H3
InChIKeyATOCLUQNFXIYBT-UHFFFAOYSA-N
MW218.28 g/mol
LogP0.06
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide

N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 43501601) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide
PubChem CID43501601
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCCC(CO)NS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C8H14N2O3S/c1-2-7(6-11)10-14(12,13)8-3-4-9-5-8/h3-5,7,9-11H,2,6H2,1H3
InChIKeyATOCLUQNFXIYBT-UHFFFAOYSA-N
XLogP0.06
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1-hydroxybutan-2-yl)-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

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide (CID 43501601) is N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide is CCC(CO)NS(=O)(=O)c1cc[nH]c1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is ATOCLUQNFXIYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-2-7(6-11)10-14(12,13)8-3-4-9-5-8/h3-5,7,9-11H,2,6H2,1H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide?
N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 218.28 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 43501601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).