pyrrole-1-sulfonamide

C4H6N2O2S — CID 18009276

IUPACpyrrole-1-sulfonamide
SMILESNS(=O)(=O)n1cccc1
InChIInChI=1S/C4H6N2O2S/c5-9(7,8)6-3-1-2-4-6/h1-4H,(H2,5,7,8)
InChIKeyUVDFSXIEBNLSMG-UHFFFAOYSA-N
MW146.17 g/mol
LogP-0.46
Rot. Bonds1

About pyrrole-1-sulfonamide

pyrrole-1-sulfonamide (PubChem CID 18009276) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol. Its IUPAC name is pyrrole-1-sulfonamide.

Molecular Properties

Compound Namepyrrole-1-sulfonamide
PubChem CID18009276
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC Namepyrrole-1-sulfonamide
SMILESNS(=O)(=O)n1cccc1
InChIInChI=1S/C4H6N2O2S/c5-9(7,8)6-3-1-2-4-6/h1-4H,(H2,5,7,8)
InChIKeyUVDFSXIEBNLSMG-UHFFFAOYSA-N
XLogP-0.46
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrrole
CID 8027
1-Methylpyrrole
CID 7304
1-Ethylpyrrole
CID 185226
3-(Pyrrol-1-yl)propiononitrile
CID 96527
1-Aminopyrrole
CID 136589
1-(prop-2-en-1-yl)-1H-pyrrole
CID 527525
1-Butylpyrrole
CID 68529
2-(1H-pyrrol-1-yl)ethan-1-amine
CID 2763816
1-(Dimethylamino)pyrrole
CID 573527
N,N-dimethyl-2-pyrrol-1-ylethanamine
CID 43394750
3-(1H-pyrrol-1-yl)propan-1-amine
CID 4585582
1h-pyrrole, potassium salt
CID 10898667

Frequently Asked Questions

What is the IUPAC name of pyrrole-1-sulfonamide?
The IUPAC name of pyrrole-1-sulfonamide (CID 18009276) is pyrrole-1-sulfonamide.
What is the SMILES notation for pyrrole-1-sulfonamide?
The canonical SMILES for pyrrole-1-sulfonamide is NS(=O)(=O)n1cccc1.
What is the InChIKey of pyrrole-1-sulfonamide?
The InChIKey is UVDFSXIEBNLSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S/c5-9(7,8)6-3-1-2-4-6/h1-4H,(H2,5,7,8).
What are the key properties of pyrrole-1-sulfonamide?
pyrrole-1-sulfonamide has a molecular weight of 146.17 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrole-1-sulfonamide is sourced from PubChem (CID 18009276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).