4-(cyclohexylamino)-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide

C18H25F3N2O3S — CID 24947994

IUPAC4-(cyclohexylamino)-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccc(NC2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C18H25F3N2O3S/c19-18(20,21)16-11-14(23-13-5-2-1-3-6-13)8-9-17(16)27(24,25)22-12-15-7-4-10-26-15/h8-9,11,13,15,22-23H,1-7,10,12H2
InChIKeyLWMLQPGYMOPNPS-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.91
Rot. Bonds6

About 4-(cyclohexylamino)-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide

4-(cyclohexylamino)-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24947994) has the molecular formula C18H25F3N2O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24947994
Molecular FormulaC18H25F3N2O3S
Molecular Weight406.47 g/mol
Exact Mass406.15
IUPAC Name4-(cyclohexylamino)-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccc(NC2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C18H25F3N2O3S/c19-18(20,21)16-11-14(23-13-5-2-1-3-6-13)8-9-17(16)27(24,25)22-12-15-7-4-10-26-15/h8-9,11,13,15,22-23H,1-7,10,12H2
InChIKeyLWMLQPGYMOPNPS-UHFFFAOYSA-N
XLogP3.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-(cyclohexylamino)-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide (CID 24947994) is 4-(cyclohexylamino)-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylamino)-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-(cyclohexylamino)-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1CCCO1)c1ccc(NC2CCCCC2)cc1C(F)(F)F.
What is the InChIKey of 4-(cyclohexylamino)-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LWMLQPGYMOPNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O3S/c19-18(20,21)16-11-14(23-13-5-2-1-3-6-13)8-9-17(16)27(24,25)22-12-15-7-4-10-26-15/h8-9,11,13,15,22-23H,1-7,10,12H2.
What are the key properties of 4-(cyclohexylamino)-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
4-(cyclohexylamino)-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 406.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24947994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).