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

C13H10FNO2S2 — CID 90552622

IUPACN-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC#Cc1ccccc1F)c1cccs1
InChIInChI=1S/C13H10FNO2S2/c14-12-7-2-1-5-11(12)6-3-9-15-19(16,17)13-8-4-10-18-13/h1-2,4-5,7-8,10,15H,9H2
InChIKeyWSWMTDSGUVWMGA-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.22
Rot. Bonds3

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

N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide (PubChem CID 90552622) has the molecular formula C13H10FNO2S2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide
PubChem CID90552622
Molecular FormulaC13H10FNO2S2
Molecular Weight295.36 g/mol
Exact Mass295.01
IUPAC NameN-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC#Cc1ccccc1F)c1cccs1
InChIInChI=1S/C13H10FNO2S2/c14-12-7-2-1-5-11(12)6-3-9-15-19(16,17)13-8-4-10-18-13/h1-2,4-5,7-8,10,15H,9H2
InChIKeyWSWMTDSGUVWMGA-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.22
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 N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide (CID 90552622) is N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide is O=S(=O)(NCC#Cc1ccccc1F)c1cccs1.
What is the InChIKey of N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide?
The InChIKey is WSWMTDSGUVWMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2S2/c14-12-7-2-1-5-11(12)6-3-9-15-19(16,17)13-8-4-10-18-13/h1-2,4-5,7-8,10,15H,9H2.
What are the key properties of N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide?
N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)prop-2-ynyl]thiophene-2-sulfonamide is sourced from PubChem (CID 90552622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).