N-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C16H16F3NO2S2 — CID 71796611

IUPACN-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1(c2cccs2)CC1
InChIInChI=1S/C16H16F3NO2S2/c17-16(18,19)13-5-3-12(4-6-13)10-24(21,22)20-11-15(7-8-15)14-2-1-9-23-14/h1-6,9,20H,7-8,10-11H2
InChIKeyOMXRMEYBOHUJNB-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.92
Rot. Bonds6

About N-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 71796611) has the molecular formula C16H16F3NO2S2 and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID71796611
Molecular FormulaC16H16F3NO2S2
Molecular Weight375.44 g/mol
Exact Mass375.06
IUPAC NameN-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1(c2cccs2)CC1
InChIInChI=1S/C16H16F3NO2S2/c17-16(18,19)13-5-3-12(4-6-13)10-24(21,22)20-11-15(7-8-15)14-2-1-9-23-14/h1-6,9,20H,7-8,10-11H2
InChIKeyOMXRMEYBOHUJNB-UHFFFAOYSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide
CID 30943309
2-phenyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]ethanesulfonamide
CID 30943250
N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806746
N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796922
N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 68662627
N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 167065322
2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 110731431
2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 30530525
2,3,4,5,6-pentamethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943352
4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944280
4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 30530651
2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944278

Frequently Asked Questions

What is the IUPAC name of N-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 71796611) is N-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1(c2cccs2)CC1.
What is the InChIKey of N-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is OMXRMEYBOHUJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S2/c17-16(18,19)13-5-3-12(4-6-13)10-24(21,22)20-11-15(7-8-15)14-2-1-9-23-14/h1-6,9,20H,7-8,10-11H2.
What are the key properties of N-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 375.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 71796611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).