N-propan-2-yl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide

C24H36F3N3O3S — CID 67394618

IUPACN-propan-2-yl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)N1CCN(C(=O)C2CCC(N(C(C)C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H36F3N3O3S/c1-17(2)28-13-15-29(16-14-28)23(31)19-5-9-21(10-6-19)30(18(3)4)34(32,33)22-11-7-20(8-12-22)24(25,26)27/h7-8,11-12,17-19,21H,5-6,9-10,13-16H2,1-4H3
InChIKeyJTRMCGTVIHGWMI-UHFFFAOYSA-N
MW503.63 g/mol
LogP4.22
Rot. Bonds6

About N-propan-2-yl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide

N-propan-2-yl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 67394618) has the molecular formula C24H36F3N3O3S and a molecular weight of 503.63 g/mol. Its IUPAC name is N-propan-2-yl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID67394618
Molecular FormulaC24H36F3N3O3S
Molecular Weight503.63 g/mol
Exact Mass503.24
IUPAC NameN-propan-2-yl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)N1CCN(C(=O)C2CCC(N(C(C)C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H36F3N3O3S/c1-17(2)28-13-15-29(16-14-28)23(31)19-5-9-21(10-6-19)30(18(3)4)34(32,33)22-11-7-20(8-12-22)24(25,26)27/h7-8,11-12,17-19,21H,5-6,9-10,13-16H2,1-4H3
InChIKeyJTRMCGTVIHGWMI-UHFFFAOYSA-N
XLogP4.22
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.63
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-propan-2-yl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide (CID 67394618) is N-propan-2-yl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-propan-2-yl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-propan-2-yl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide is CC(C)N1CCN(C(=O)C2CCC(N(C(C)C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of N-propan-2-yl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JTRMCGTVIHGWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F3N3O3S/c1-17(2)28-13-15-29(16-14-28)23(31)19-5-9-21(10-6-19)30(18(3)4)34(32,33)22-11-7-20(8-12-22)24(25,26)27/h7-8,11-12,17-19,21H,5-6,9-10,13-16H2,1-4H3.
What are the key properties of N-propan-2-yl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
N-propan-2-yl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 503.63 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 67394618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).