N-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide

C14H13FN2O5S2 — CID 123474330

IUPACN-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1O)NS(=O)(=O)c1cc(C=O)ccc1F
InChIInChI=1S/C14H13FN2O5S2/c1-8(16-14(20)13-11(19)4-5-23-13)17-24(21,22)12-6-9(7-18)2-3-10(12)15/h2-8,17,19H,1H3,(H,16,20)
InChIKeyOTDXBUFFFLAUNV-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.46
Rot. Bonds6

About N-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide

N-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide (PubChem CID 123474330) has the molecular formula C14H13FN2O5S2 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide
PubChem CID123474330
Molecular FormulaC14H13FN2O5S2
Molecular Weight372.40 g/mol
Exact Mass372.02
IUPAC NameN-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1O)NS(=O)(=O)c1cc(C=O)ccc1F
InChIInChI=1S/C14H13FN2O5S2/c1-8(16-14(20)13-11(19)4-5-23-13)17-24(21,22)12-6-9(7-18)2-3-10(12)15/h2-8,17,19H,1H3,(H,16,20)
InChIKeyOTDXBUFFFLAUNV-UHFFFAOYSA-N
XLogP1.46
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide?
The IUPAC name of N-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide (CID 123474330) is N-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide is CC(NC(=O)c1sccc1O)NS(=O)(=O)c1cc(C=O)ccc1F.
What is the InChIKey of N-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide?
The InChIKey is OTDXBUFFFLAUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O5S2/c1-8(16-14(20)13-11(19)4-5-23-13)17-24(21,22)12-6-9(7-18)2-3-10(12)15/h2-8,17,19H,1H3,(H,16,20).
What are the key properties of N-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide?
N-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide is sourced from PubChem (CID 123474330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).