5-chloro-N-[2,2-difluoro-1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide

C13H11ClF3NO2S2 — CID 168898587

IUPAC5-chloro-N-[2,2-difluoro-1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(C(c1ccc(F)cc1)C(F)F)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClF3NO2S2/c1-18(22(19,20)11-7-6-10(14)21-11)12(13(16)17)8-2-4-9(15)5-3-8/h2-7,12-13H,1H3
InChIKeyVQWJQRHJDFWNGT-UHFFFAOYSA-N
MW369.82 g/mol
LogP4.17
Rot. Bonds5

About 5-chloro-N-[2,2-difluoro-1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide

5-chloro-N-[2,2-difluoro-1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 168898587) has the molecular formula C13H11ClF3NO2S2 and a molecular weight of 369.82 g/mol. Its IUPAC name is 5-chloro-N-[2,2-difluoro-1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2,2-difluoro-1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide
PubChem CID168898587
Molecular FormulaC13H11ClF3NO2S2
Molecular Weight369.82 g/mol
Exact Mass368.99
IUPAC Name5-chloro-N-[2,2-difluoro-1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(C(c1ccc(F)cc1)C(F)F)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClF3NO2S2/c1-18(22(19,20)11-7-6-10(14)21-11)12(13(16)17)8-2-4-9(15)5-3-8/h2-7,12-13H,1H3
InChIKeyVQWJQRHJDFWNGT-UHFFFAOYSA-N
XLogP4.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2536317
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 4788611
2-[(5-Chlorothiophen-2-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 1228698
4-chloro-2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4792768
5-Chloro-thiophene-2-sulfonic acid 4-methyl-benzylamide
CID 893794
1-Benzyl-4-[(5-chlorothien-2-yl)sulfonyl]piperazine
CID 2823175
N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 16377120
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 112787970
CID 134792058
CID 134792058
5-chloro-N-(4-fluorobenzyl)thiophene-2-sulfonamide
CID 893742
US20250115569, Example 1
CID 47129119
US20250115569, Example 9
CID 168898383

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2,2-difluoro-1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2,2-difluoro-1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide (CID 168898587) is 5-chloro-N-[2,2-difluoro-1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2,2-difluoro-1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2,2-difluoro-1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide is CN(C(c1ccc(F)cc1)C(F)F)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2,2-difluoro-1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is VQWJQRHJDFWNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NO2S2/c1-18(22(19,20)11-7-6-10(14)21-11)12(13(16)17)8-2-4-9(15)5-3-8/h2-7,12-13H,1H3.
What are the key properties of 5-chloro-N-[2,2-difluoro-1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide?
5-chloro-N-[2,2-difluoro-1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 369.82 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2,2-difluoro-1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 168898587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).