2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one

C21H18N4O3S2 — CID 3864235

IUPAC2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccn2S(=O)(=O)c2ccccc2)N1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C21H18N4O3S2/c26-20-14-29-21(24(20)13-19-22-16-9-4-5-10-17(16)23-19)18-11-6-12-25(18)30(27,28)15-7-2-1-3-8-15/h1-12,21H,13-14H2,(H,22,23)
InChIKeyIABSJJNDEVGGOR-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.38
Rot. Bonds5

About 2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one

2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 3864235) has the molecular formula C21H18N4O3S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID3864235
Molecular FormulaC21H18N4O3S2
Molecular Weight438.53 g/mol
Exact Mass438.08
IUPAC Name2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccn2S(=O)(=O)c2ccccc2)N1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C21H18N4O3S2/c26-20-14-29-21(24(20)13-19-22-16-9-4-5-10-17(16)23-19)18-11-6-12-25(18)30(27,28)15-7-2-1-3-8-15/h1-12,21H,13-14H2,(H,22,23)
InChIKeyIABSJJNDEVGGOR-UHFFFAOYSA-N
XLogP3.38
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one (CID 3864235) is 2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccn2S(=O)(=O)c2ccccc2)N1Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is IABSJJNDEVGGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S2/c26-20-14-29-21(24(20)13-19-22-16-9-4-5-10-17(16)23-19)18-11-6-12-25(18)30(27,28)15-7-2-1-3-8-15/h1-12,21H,13-14H2,(H,22,23).
What are the key properties of 2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one?
2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 438.53 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3864235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).