5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide

C14H13FN2O2S2 — CID 168898823

IUPAC5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESCCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C14H13FN2O2S2/c1-2-17(10-11-3-5-12(15)6-4-11)21(18,19)14-8-7-13(9-16)20-14/h3-8H,2,10H2,1H3
InChIKeyMWZUBHKAXZNRBD-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.97
Rot. Bonds5

About 5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide

5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 168898823) has the molecular formula C14H13FN2O2S2 and a molecular weight of 324.40 g/mol. Its IUPAC name is 5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID168898823
Molecular FormulaC14H13FN2O2S2
Molecular Weight324.40 g/mol
Exact Mass324.04
IUPAC Name5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESCCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C14H13FN2O2S2/c1-2-17(10-11-3-5-12(15)6-4-11)21(18,19)14-8-7-13(9-16)20-14/h3-8H,2,10H2,1H3
InChIKeyMWZUBHKAXZNRBD-UHFFFAOYSA-N
XLogP2.97
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide (CID 168898823) is 5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide is CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is MWZUBHKAXZNRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S2/c1-2-17(10-11-3-5-12(15)6-4-11)21(18,19)14-8-7-13(9-16)20-14/h3-8H,2,10H2,1H3.
What are the key properties of 5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 324.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 168898823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).