N,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide

C14H13F4NO2S2 — CID 168898548

IUPACN,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)[C@@H](c2ccc(F)cc2)C(F)(F)F)s1
InChIInChI=1S/C14H13F4NO2S2/c1-9-3-8-12(22-9)23(20,21)19(2)13(14(16,17)18)10-4-6-11(15)7-5-10/h3-8,13H,1-2H3/t13-/m0/s1
InChIKeyMFYHEWGNSGINCP-ZDUSSCGKSA-N
MW367.39 g/mol
LogP4.12
Rot. Bonds4

About N,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide

N,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 168898548) has the molecular formula C14H13F4NO2S2 and a molecular weight of 367.39 g/mol. Its IUPAC name is N,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID168898548
Molecular FormulaC14H13F4NO2S2
Molecular Weight367.39 g/mol
Exact Mass367.03
IUPAC NameN,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)[C@@H](c2ccc(F)cc2)C(F)(F)F)s1
InChIInChI=1S/C14H13F4NO2S2/c1-9-3-8-12(22-9)23(20,21)19(2)13(14(16,17)18)10-4-6-11(15)7-5-10/h3-8,13H,1-2H3/t13-/m0/s1
InChIKeyMFYHEWGNSGINCP-ZDUSSCGKSA-N
XLogP4.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide (CID 168898548) is N,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)N(C)[C@@H](c2ccc(F)cc2)C(F)(F)F)s1.
What is the InChIKey of N,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is MFYHEWGNSGINCP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13F4NO2S2/c1-9-3-8-12(22-9)23(20,21)19(2)13(14(16,17)18)10-4-6-11(15)7-5-10/h3-8,13H,1-2H3/t13-/m0/s1.
What are the key properties of N,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
N,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 367.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 168898548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).