5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide

C12H10ClF2NO2S2 — CID 134017266

IUPAC5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H10ClF2NO2S2/c1-7(8-2-3-9(14)10(15)6-8)16-20(17,18)12-5-4-11(13)19-12/h2-7,16H,1H3
InChIKeyUMBJZIIZVCHUQA-UHFFFAOYSA-N
MW337.80 g/mol
LogP3.72
Rot. Bonds4

About 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 134017266) has the molecular formula C12H10ClF2NO2S2 and a molecular weight of 337.80 g/mol. Its IUPAC name is 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID134017266
Molecular FormulaC12H10ClF2NO2S2
Molecular Weight337.80 g/mol
Exact Mass336.98
IUPAC Name5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H10ClF2NO2S2/c1-7(8-2-3-9(14)10(15)6-8)16-20(17,18)12-5-4-11(13)19-12/h2-7,16H,1H3
InChIKeyUMBJZIIZVCHUQA-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 22772327
N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 3835268
N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
CID 47121816
N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide
CID 78686890
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 61051043
5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide
CID 29355029
N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 47109825
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169674
5-bromo-4-chloro-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 80580119
3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 26012217
5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
CID 72786260
N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 43001312

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide (CID 134017266) is 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide is CC(NS(=O)(=O)c1ccc(Cl)s1)c1ccc(F)c(F)c1.
What is the InChIKey of 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is UMBJZIIZVCHUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NO2S2/c1-7(8-2-3-9(14)10(15)6-8)16-20(17,18)12-5-4-11(13)19-12/h2-7,16H,1H3.
What are the key properties of 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 337.80 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 134017266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).