5-ethyl-N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide

C15H14FNO2S2 — CID 90552644

IUPAC5-ethyl-N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC#Cc2ccccc2F)s1
InChIInChI=1S/C15H14FNO2S2/c1-2-13-9-10-15(20-13)21(18,19)17-11-5-7-12-6-3-4-8-14(12)16/h3-4,6,8-10,17H,2,11H2,1H3
InChIKeyKVEHAZKAGBBMKM-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.78
Rot. Bonds4

About 5-ethyl-N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide

5-ethyl-N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide (PubChem CID 90552644) has the molecular formula C15H14FNO2S2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 5-ethyl-N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide
PubChem CID90552644
Molecular FormulaC15H14FNO2S2
Molecular Weight323.41 g/mol
Exact Mass323.04
IUPAC Name5-ethyl-N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC#Cc2ccccc2F)s1
InChIInChI=1S/C15H14FNO2S2/c1-2-13-9-10-15(20-13)21(18,19)17-11-5-7-12-6-3-4-8-14(12)16/h3-4,6,8-10,17H,2,11H2,1H3
InChIKeyKVEHAZKAGBBMKM-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide (CID 90552644) is 5-ethyl-N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCC#Cc2ccccc2F)s1.
What is the InChIKey of 5-ethyl-N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide?
The InChIKey is KVEHAZKAGBBMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S2/c1-2-13-9-10-15(20-13)21(18,19)17-11-5-7-12-6-3-4-8-14(12)16/h3-4,6,8-10,17H,2,11H2,1H3.
What are the key properties of 5-ethyl-N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide?
5-ethyl-N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide has a molecular weight of 323.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide is sourced from PubChem (CID 90552644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).