N-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide

C18H25F3N2O2S — CID 24946359

IUPACN-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC1CCC(Nc2ccc(S(=O)(=O)NCC3CC3)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H25F3N2O2S/c1-12-2-6-14(7-3-12)23-15-8-9-17(16(10-15)18(19,20)21)26(24,25)22-11-13-4-5-13/h8-10,12-14,22-23H,2-7,11H2,1H3
InChIKeyXIGGQWGWGSAPDZ-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.38
Rot. Bonds6

About N-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide

N-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24946359) has the molecular formula C18H25F3N2O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24946359
Molecular FormulaC18H25F3N2O2S
Molecular Weight390.47 g/mol
Exact Mass390.16
IUPAC NameN-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC1CCC(Nc2ccc(S(=O)(=O)NCC3CC3)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H25F3N2O2S/c1-12-2-6-14(7-3-12)23-15-8-9-17(16(10-15)18(19,20)21)26(24,25)22-11-13-4-5-13/h8-10,12-14,22-23H,2-7,11H2,1H3
InChIKeyXIGGQWGWGSAPDZ-UHFFFAOYSA-N
XLogP4.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide (CID 24946359) is N-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide is CC1CCC(Nc2ccc(S(=O)(=O)NCC3CC3)c(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XIGGQWGWGSAPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2S/c1-12-2-6-14(7-3-12)23-15-8-9-17(16(10-15)18(19,20)21)26(24,25)22-11-13-4-5-13/h8-10,12-14,22-23H,2-7,11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide?
N-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24946359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).