N-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide

C9H16N2O3S — CID 43501600

IUPACN-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide
SMILESCCC(CO)NS(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C9H16N2O3S/c1-3-8(7-12)10-15(13,14)9-4-5-11(2)6-9/h4-6,8,10,12H,3,7H2,1-2H3
InChIKeyFCJSMIWDXOKFDZ-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.07
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide

N-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide (PubChem CID 43501600) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide
PubChem CID43501600
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide
SMILESCCC(CO)NS(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C9H16N2O3S/c1-3-8(7-12)10-15(13,14)9-4-5-11(2)6-9/h4-6,8,10,12H,3,7H2,1-2H3
InChIKeyFCJSMIWDXOKFDZ-UHFFFAOYSA-N
XLogP0.07
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide (CID 43501600) is N-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide is CCC(CO)NS(=O)(=O)c1ccn(C)c1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is FCJSMIWDXOKFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-3-8(7-12)10-15(13,14)9-4-5-11(2)6-9/h4-6,8,10,12H,3,7H2,1-2H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide?
N-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 232.30 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 43501600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).