4-ethoxy-3-fluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide

C18H17FN2O3S2 — CID 91625705

IUPAC4-ethoxy-3-fluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cc1F
InChIInChI=1S/C18H17FN2O3S2/c1-2-24-18-4-3-15(10-16(18)19)26(22,23)21-11-13-5-7-20-17(9-13)14-6-8-25-12-14/h3-10,12,21H,2,11H2,1H3
InChIKeyUGPGMXYTAYKXAM-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.83
Rot. Bonds7

About 4-ethoxy-3-fluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide

4-ethoxy-3-fluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 91625705) has the molecular formula C18H17FN2O3S2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID91625705
Molecular FormulaC18H17FN2O3S2
Molecular Weight392.48 g/mol
Exact Mass392.07
IUPAC Name4-ethoxy-3-fluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cc1F
InChIInChI=1S/C18H17FN2O3S2/c1-2-24-18-4-3-15(10-16(18)19)26(22,23)21-11-13-5-7-20-17(9-13)14-6-8-25-12-14/h3-10,12,21H,2,11H2,1H3
InChIKeyUGPGMXYTAYKXAM-UHFFFAOYSA-N
XLogP3.83
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide (CID 91625705) is 4-ethoxy-3-fluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is UGPGMXYTAYKXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S2/c1-2-24-18-4-3-15(10-16(18)19)26(22,23)21-11-13-5-7-20-17(9-13)14-6-8-25-12-14/h3-10,12,21H,2,11H2,1H3.
What are the key properties of 4-ethoxy-3-fluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
4-ethoxy-3-fluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 91625705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).