5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide

C13H14N2O4S2 — CID 58418156

IUPAC5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide
SMILESCC(NS(=O)(=O)c1ccccc1)c1ccc(C(=O)NO)s1
InChIInChI=1S/C13H14N2O4S2/c1-9(11-7-8-12(20-11)13(16)14-17)15-21(18,19)10-5-3-2-4-6-10/h2-9,15,17H,1H3,(H,14,16)
InChIKeyCBIFQNIEOZUXSH-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.91
Rot. Bonds5

About 5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide

5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide (PubChem CID 58418156) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide
PubChem CID58418156
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide
SMILESCC(NS(=O)(=O)c1ccccc1)c1ccc(C(=O)NO)s1
InChIInChI=1S/C13H14N2O4S2/c1-9(11-7-8-12(20-11)13(16)14-17)15-21(18,19)10-5-3-2-4-6-10/h2-9,15,17H,1H3,(H,14,16)
InChIKeyCBIFQNIEOZUXSH-UHFFFAOYSA-N
XLogP1.91
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide?
The IUPAC name of 5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide (CID 58418156) is 5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide?
The canonical SMILES for 5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide is CC(NS(=O)(=O)c1ccccc1)c1ccc(C(=O)NO)s1.
What is the InChIKey of 5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide?
The InChIKey is CBIFQNIEOZUXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-9(11-7-8-12(20-11)13(16)14-17)15-21(18,19)10-5-3-2-4-6-10/h2-9,15,17H,1H3,(H,14,16).
What are the key properties of 5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide?
5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide is sourced from PubChem (CID 58418156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).