1H-pyrrole-3-sulfonamide

C4H6N2O2S — CID 19693820

IUPAC1H-pyrrole-3-sulfonamide
SMILESNS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C4H6N2O2S/c5-9(7,8)4-1-2-6-3-4/h1-3,6H,(H2,5,7,8)
InChIKeySSKNVFBNMYLIHB-UHFFFAOYSA-N
MW146.17 g/mol
LogP-0.34
Rot. Bonds1

About 1H-pyrrole-3-sulfonamide

1H-pyrrole-3-sulfonamide (PubChem CID 19693820) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol. Its IUPAC name is 1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1H-pyrrole-3-sulfonamide
PubChem CID19693820
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC Name1H-pyrrole-3-sulfonamide
SMILESNS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C4H6N2O2S/c5-9(7,8)4-1-2-6-3-4/h1-3,6H,(H2,5,7,8)
InChIKeySSKNVFBNMYLIHB-UHFFFAOYSA-N
XLogP-0.34
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole-3-sulfonamide?
The IUPAC name of 1H-pyrrole-3-sulfonamide (CID 19693820) is 1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 1H-pyrrole-3-sulfonamide?
The canonical SMILES for 1H-pyrrole-3-sulfonamide is NS(=O)(=O)c1cc[nH]c1.
What is the InChIKey of 1H-pyrrole-3-sulfonamide?
The InChIKey is SSKNVFBNMYLIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S/c5-9(7,8)4-1-2-6-3-4/h1-3,6H,(H2,5,7,8).
What are the key properties of 1H-pyrrole-3-sulfonamide?
1H-pyrrole-3-sulfonamide has a molecular weight of 146.17 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 19693820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).