N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide

C13H9F6NO2S2 — CID 3271736

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C13H9F6NO2S2/c14-12(15,16)9-4-8(5-10(6-9)13(17,18)19)7-20-24(21,22)11-2-1-3-23-11/h1-6,20H,7H2
InChIKeyRWMFMTPYUGFPJB-UHFFFAOYSA-N
MW389.34 g/mol
LogP4.26
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide (PubChem CID 3271736) has the molecular formula C13H9F6NO2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
PubChem CID3271736
Molecular FormulaC13H9F6NO2S2
Molecular Weight389.34 g/mol
Exact Mass389.00
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C13H9F6NO2S2/c14-12(15,16)9-4-8(5-10(6-9)13(17,18)19)7-20-24(21,22)11-2-1-3-23-11/h1-6,20H,7H2
InChIKeyRWMFMTPYUGFPJB-UHFFFAOYSA-N
XLogP4.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide
CID 3807214
N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 65032752
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
CID 3862785
N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 110782022
N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780125
N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 47185676
N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide
CID 95376528
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 110730606
N-[2-chloro-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 971753
N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
CID 22771789
3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3471758
N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide
CID 4776109

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide (CID 3271736) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The InChIKey is RWMFMTPYUGFPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F6NO2S2/c14-12(15,16)9-4-8(5-10(6-9)13(17,18)19)7-20-24(21,22)11-2-1-3-23-11/h1-6,20H,7H2.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide has a molecular weight of 389.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3271736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).