N-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide

C18H13ClFNO3S2 — CID 9207037

IUPACN-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1
InChIInChI=1S/C18H13ClFNO3S2/c1-26(23,24)13-6-7-14(19)15(10-13)21-18(22)17-9-8-16(25-17)11-2-4-12(20)5-3-11/h2-10H,1H3,(H,21,22)
InChIKeyYYLNMWNXYIMNDL-UHFFFAOYSA-N
MW409.89 g/mol
LogP4.86
Rot. Bonds4

About N-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide

N-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 9207037) has the molecular formula C18H13ClFNO3S2 and a molecular weight of 409.89 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID9207037
Molecular FormulaC18H13ClFNO3S2
Molecular Weight409.89 g/mol
Exact Mass409.00
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1
InChIInChI=1S/C18H13ClFNO3S2/c1-26(23,24)13-6-7-14(19)15(10-13)21-18(22)17-9-8-16(25-17)11-2-4-12(20)5-3-11/h2-10H,1H3,(H,21,22)
InChIKeyYYLNMWNXYIMNDL-UHFFFAOYSA-N
XLogP4.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.89
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 31930381
5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide
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5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 9207037) is N-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is YYLNMWNXYIMNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO3S2/c1-26(23,24)13-6-7-14(19)15(10-13)21-18(22)17-9-8-16(25-17)11-2-4-12(20)5-3-11/h2-10H,1H3,(H,21,22).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide?
N-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 409.89 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 9207037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).