N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylthiophene-2-sulfonamide

C14H14F3NO3S2 — CID 56765475

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(O)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C14H14F3NO3S2/c1-9-2-7-13(22-9)23(20,21)18-8-12(19)10-3-5-11(6-4-10)14(15,16)17/h2-7,12,18-19H,8H2,1H3
InChIKeyUHFYYGZGLKCEID-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.09
Rot. Bonds5

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylthiophene-2-sulfonamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 56765475) has the molecular formula C14H14F3NO3S2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID56765475
Molecular FormulaC14H14F3NO3S2
Molecular Weight365.40 g/mol
Exact Mass365.04
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(O)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C14H14F3NO3S2/c1-9-2-7-13(22-9)23(20,21)18-8-12(19)10-3-5-11(6-4-10)14(15,16)17/h2-7,12,18-19H,8H2,1H3
InChIKeyUHFYYGZGLKCEID-UHFFFAOYSA-N
XLogP3.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylthiophene-2-sulfonamide (CID 56765475) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC(O)c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is UHFYYGZGLKCEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3S2/c1-9-2-7-13(22-9)23(20,21)18-8-12(19)10-3-5-11(6-4-10)14(15,16)17/h2-7,12,18-19H,8H2,1H3.
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 365.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 56765475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).