N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide

C15H16F3NO2S2 — CID 66907230

IUPACN-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide
SMILESCc1c(N(CCC2CC2)S(=O)(=O)C(F)(F)F)sc2ccccc12
InChIInChI=1S/C15H16F3NO2S2/c1-10-12-4-2-3-5-13(12)22-14(10)19(9-8-11-6-7-11)23(20,21)15(16,17)18/h2-5,11H,6-9H2,1H3
InChIKeyZAYIZLUZQJTAFB-UHFFFAOYSA-N
MW363.43 g/mol
LogP4.67
Rot. Bonds5

About N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide

N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide (PubChem CID 66907230) has the molecular formula C15H16F3NO2S2 and a molecular weight of 363.43 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide
PubChem CID66907230
Molecular FormulaC15H16F3NO2S2
Molecular Weight363.43 g/mol
Exact Mass363.06
IUPAC NameN-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide
SMILESCc1c(N(CCC2CC2)S(=O)(=O)C(F)(F)F)sc2ccccc12
InChIInChI=1S/C15H16F3NO2S2/c1-10-12-4-2-3-5-13(12)22-14(10)19(9-8-11-6-7-11)23(20,21)15(16,17)18/h2-5,11H,6-9H2,1H3
InChIKeyZAYIZLUZQJTAFB-UHFFFAOYSA-N
XLogP4.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide?
The IUPAC name of N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide (CID 66907230) is N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide is Cc1c(N(CCC2CC2)S(=O)(=O)C(F)(F)F)sc2ccccc12.
What is the InChIKey of N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide?
The InChIKey is ZAYIZLUZQJTAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2S2/c1-10-12-4-2-3-5-13(12)22-14(10)19(9-8-11-6-7-11)23(20,21)15(16,17)18/h2-5,11H,6-9H2,1H3.
What are the key properties of N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide?
N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide has a molecular weight of 363.43 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-1,1,1-trifluoro-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide is sourced from PubChem (CID 66907230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).