N-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide

C7H7N3O2S2 — CID 118077980

IUPACN-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide
SMILESO=S(=O)(Nc1cscn1)n1cccc1
InChIInChI=1S/C7H7N3O2S2/c11-14(12,10-3-1-2-4-10)9-7-5-13-6-8-7/h1-6,9H
InChIKeyNFCKGLGZXCYYAP-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.15
Rot. Bonds3

About N-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide

N-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide (PubChem CID 118077980) has the molecular formula C7H7N3O2S2 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide
PubChem CID118077980
Molecular FormulaC7H7N3O2S2
Molecular Weight229.29 g/mol
Exact Mass229.00
IUPAC NameN-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide
SMILESO=S(=O)(Nc1cscn1)n1cccc1
InChIInChI=1S/C7H7N3O2S2/c11-14(12,10-3-1-2-4-10)9-7-5-13-6-8-7/h1-6,9H
InChIKeyNFCKGLGZXCYYAP-UHFFFAOYSA-N
XLogP1.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide?
The IUPAC name of N-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide (CID 118077980) is N-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide.
What is the SMILES notation for N-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide?
The canonical SMILES for N-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide is O=S(=O)(Nc1cscn1)n1cccc1.
What is the InChIKey of N-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide?
The InChIKey is NFCKGLGZXCYYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S2/c11-14(12,10-3-1-2-4-10)9-7-5-13-6-8-7/h1-6,9H.
What are the key properties of N-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide?
N-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide has a molecular weight of 229.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide is sourced from PubChem (CID 118077980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).