5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one

C11H8ClN3O3S2 — CID 110724159

IUPAC5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one
SMILESNc1ccc2[nH]c(=O)n(S(=O)(=O)c3ccc(Cl)s3)c2c1
InChIInChI=1S/C11H8ClN3O3S2/c12-9-3-4-10(19-9)20(17,18)15-8-5-6(13)1-2-7(8)14-11(15)16/h1-5H,13H2,(H,14,16)
InChIKeyHTYNXHVRSAZQCY-UHFFFAOYSA-N
MW329.79 g/mol
LogP1.86
Rot. Bonds2

About 5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one

5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one (PubChem CID 110724159) has the molecular formula C11H8ClN3O3S2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one
PubChem CID110724159
Molecular FormulaC11H8ClN3O3S2
Molecular Weight329.79 g/mol
Exact Mass328.97
IUPAC Name5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one
SMILESNc1ccc2[nH]c(=O)n(S(=O)(=O)c3ccc(Cl)s3)c2c1
InChIInChI=1S/C11H8ClN3O3S2/c12-9-3-4-10(19-9)20(17,18)15-8-5-6(13)1-2-7(8)14-11(15)16/h1-5H,13H2,(H,14,16)
InChIKeyHTYNXHVRSAZQCY-UHFFFAOYSA-N
XLogP1.86
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one?
The IUPAC name of 5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one (CID 110724159) is 5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one?
The canonical SMILES for 5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one is Nc1ccc2[nH]c(=O)n(S(=O)(=O)c3ccc(Cl)s3)c2c1.
What is the InChIKey of 5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one?
The InChIKey is HTYNXHVRSAZQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3S2/c12-9-3-4-10(19-9)20(17,18)15-8-5-6(13)1-2-7(8)14-11(15)16/h1-5H,13H2,(H,14,16).
What are the key properties of 5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one?
5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one has a molecular weight of 329.79 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(5-chlorothiophen-2-yl)sulfonyl-1H-benzimidazol-2-one is sourced from PubChem (CID 110724159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).