1-(1,3-thiazol-2-yl)pyrrole-3-sulfonamide

C7H7N3O2S2 — CID 171619515

IUPAC1-(1,3-thiazol-2-yl)pyrrole-3-sulfonamide
SMILESNS(=O)(=O)c1ccn(-c2nccs2)c1
InChIInChI=1S/C7H7N3O2S2/c8-14(11,12)6-1-3-10(5-6)7-9-2-4-13-7/h1-5H,(H2,8,11,12)
InChIKeySPQWJFMULDZVBI-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.58
Rot. Bonds2

About 1-(1,3-thiazol-2-yl)pyrrole-3-sulfonamide

1-(1,3-thiazol-2-yl)pyrrole-3-sulfonamide (PubChem CID 171619515) has the molecular formula C7H7N3O2S2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)pyrrole-3-sulfonamide
PubChem CID171619515
Molecular FormulaC7H7N3O2S2
Molecular Weight229.29 g/mol
Exact Mass229.00
IUPAC Name1-(1,3-thiazol-2-yl)pyrrole-3-sulfonamide
SMILESNS(=O)(=O)c1ccn(-c2nccs2)c1
InChIInChI=1S/C7H7N3O2S2/c8-14(11,12)6-1-3-10(5-6)7-9-2-4-13-7/h1-5H,(H2,8,11,12)
InChIKeySPQWJFMULDZVBI-UHFFFAOYSA-N
XLogP0.58
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 298680
N-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide
CID 132507887
5-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 4715084
N-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide
CID 118077980
4-Pyrrol-1-yl-1,3-thiazole
CID 118078297
N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide
CID 140744167
2-Pyrrol-1-yl-1,3-thiazole-5-sulfonamide
CID 154393579
2-(2-Methylsulfanylpyrrol-1-yl)-1,3-thiazole
CID 166959186
Thiazole, 4-bromo-2-(1H-pyrrol-1-yl)-
CID 45787848
5-Bromo-2-(1H-Pyrrol-1-yl)thiazole
CID 45787850
2-Amino-4-(1H-pyrrol-1-yl)thiazole
CID 66520235
4-Amino-2-(1H-pyrrol-1-yl)thiazole
CID 66520585

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The IUPAC name of 1-(1,3-thiazol-2-yl)pyrrole-3-sulfonamide (CID 171619515) is 1-(1,3-thiazol-2-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-(1,3-thiazol-2-yl)pyrrole-3-sulfonamide is NS(=O)(=O)c1ccn(-c2nccs2)c1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The InChIKey is SPQWJFMULDZVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S2/c8-14(11,12)6-1-3-10(5-6)7-9-2-4-13-7/h1-5H,(H2,8,11,12).
What are the key properties of 1-(1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
1-(1,3-thiazol-2-yl)pyrrole-3-sulfonamide has a molecular weight of 229.29 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 171619515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).