N-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)-methylsulfamoyl]thiophene-2-carboxamide

C19H16ClFN2O4S2 — CID 30849032

IUPACN-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)-methylsulfamoyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C19H16ClFN2O4S2/c1-23(14-6-3-12(21)4-7-14)29(25,26)17-9-10-28-18(17)19(24)22-13-5-8-16(27-2)15(20)11-13/h3-11H,1-2H3,(H,22,24)
InChIKeyWYVIRQVHUYVNJG-UHFFFAOYSA-N
MW454.93 g/mol
LogP4.63
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)-methylsulfamoyl]thiophene-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)-methylsulfamoyl]thiophene-2-carboxamide (PubChem CID 30849032) has the molecular formula C19H16ClFN2O4S2 and a molecular weight of 454.93 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)-methylsulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)-methylsulfamoyl]thiophene-2-carboxamide
PubChem CID30849032
Molecular FormulaC19H16ClFN2O4S2
Molecular Weight454.93 g/mol
Exact Mass454.02
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)-methylsulfamoyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C19H16ClFN2O4S2/c1-23(14-6-3-12(21)4-7-14)29(25,26)17-9-10-28-18(17)19(24)22-13-5-8-16(27-2)15(20)11-13/h3-11H,1-2H3,(H,22,24)
InChIKeyWYVIRQVHUYVNJG-UHFFFAOYSA-N
XLogP4.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)-methylsulfamoyl]thiophene-2-carboxamide (CID 30849032) is N-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)-methylsulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)-methylsulfamoyl]thiophene-2-carboxamide is COc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)-methylsulfamoyl]thiophene-2-carboxamide?
The InChIKey is WYVIRQVHUYVNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O4S2/c1-23(14-6-3-12(21)4-7-14)29(25,26)17-9-10-28-18(17)19(24)22-13-5-8-16(27-2)15(20)11-13/h3-11H,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)-methylsulfamoyl]thiophene-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)-methylsulfamoyl]thiophene-2-carboxamide has a molecular weight of 454.93 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)-methylsulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 30849032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).