5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide

C18H15FN2O3S2 — CID 23372803

IUPAC5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(-c2cc(C(N)=O)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN2O3S2/c1-26(23,24)21-14-8-4-11(5-9-14)15-10-16(18(20)22)25-17(15)12-2-6-13(19)7-3-12/h2-10,21H,1H3,(H2,20,22)
InChIKeyQYOICYIQXAUROY-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.69
Rot. Bonds5

About 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide

5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide (PubChem CID 23372803) has the molecular formula C18H15FN2O3S2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide
PubChem CID23372803
Molecular FormulaC18H15FN2O3S2
Molecular Weight390.46 g/mol
Exact Mass390.05
IUPAC Name5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(-c2cc(C(N)=O)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN2O3S2/c1-26(23,24)21-14-8-4-11(5-9-14)15-10-16(18(20)22)25-17(15)12-2-6-13(19)7-3-12/h2-10,21H,1H3,(H2,20,22)
InChIKeyQYOICYIQXAUROY-UHFFFAOYSA-N
XLogP3.69
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide (CID 23372803) is 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide is CS(=O)(=O)Nc1ccc(-c2cc(C(N)=O)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide?
The InChIKey is QYOICYIQXAUROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S2/c1-26(23,24)21-14-8-4-11(5-9-14)15-10-16(18(20)22)25-17(15)12-2-6-13(19)7-3-12/h2-10,21H,1H3,(H2,20,22).
What are the key properties of 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide?
5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 23372803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).