N-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

C15H17F3N2O3S2 — CID 20935946

IUPACN-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1
InChIInChI=1S/C15H17F3N2O3S2/c1-9-2-4-10(5-3-9)20-25(21,22)14-7-6-12(24-14)11-8-13(23-19-11)15(16,17)18/h6-10,20H,2-5H2,1H3
InChIKeyFJLVRRPWYYCUSM-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.28
Rot. Bonds4

About N-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

N-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (PubChem CID 20935946) has the molecular formula C15H17F3N2O3S2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
PubChem CID20935946
Molecular FormulaC15H17F3N2O3S2
Molecular Weight394.44 g/mol
Exact Mass394.06
IUPAC NameN-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1
InChIInChI=1S/C15H17F3N2O3S2/c1-9-2-4-10(5-3-9)20-25(21,22)14-7-6-12(24-14)11-8-13(23-19-11)15(16,17)18/h6-10,20H,2-5H2,1H3
InChIKeyFJLVRRPWYYCUSM-UHFFFAOYSA-N
XLogP4.28
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (CID 20935946) is N-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is CC1CCC(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is FJLVRRPWYYCUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3S2/c1-9-2-4-10(5-3-9)20-25(21,22)14-7-6-12(24-14)11-8-13(23-19-11)15(16,17)18/h6-10,20H,2-5H2,1H3.
What are the key properties of N-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
N-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 394.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 20935946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).