5-(benzenesulfonyl)thiophene-2-carboxamide

C11H9NO3S2 — CID 155540938

IUPAC5-(benzenesulfonyl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C11H9NO3S2/c12-11(13)9-6-7-10(16-9)17(14,15)8-4-2-1-3-5-8/h1-7H,(H2,12,13)
InChIKeyPAONFDSWCOQWRQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.68
Rot. Bonds3

About 5-(benzenesulfonyl)thiophene-2-carboxamide

5-(benzenesulfonyl)thiophene-2-carboxamide (PubChem CID 155540938) has the molecular formula C11H9NO3S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(benzenesulfonyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)thiophene-2-carboxamide
PubChem CID155540938
Molecular FormulaC11H9NO3S2
Molecular Weight267.33 g/mol
Exact Mass267.00
IUPAC Name5-(benzenesulfonyl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C11H9NO3S2/c12-11(13)9-6-7-10(16-9)17(14,15)8-4-2-1-3-5-8/h1-7H,(H2,12,13)
InChIKeyPAONFDSWCOQWRQ-UHFFFAOYSA-N
XLogP1.68
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)thiophene-2-carboxamide?
The IUPAC name of 5-(benzenesulfonyl)thiophene-2-carboxamide (CID 155540938) is 5-(benzenesulfonyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonyl)thiophene-2-carboxamide is NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)thiophene-2-carboxamide?
The InChIKey is PAONFDSWCOQWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S2/c12-11(13)9-6-7-10(16-9)17(14,15)8-4-2-1-3-5-8/h1-7H,(H2,12,13).
What are the key properties of 5-(benzenesulfonyl)thiophene-2-carboxamide?
5-(benzenesulfonyl)thiophene-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)thiophene-2-carboxamide is sourced from PubChem (CID 155540938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).