2-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C23H34F3N3O3S — CID 67394707

IUPAC2-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(CC(F)(F)F)C1CCC(C(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C23H34F3N3O3S/c1-17(2)27-12-14-28(15-13-27)22(30)19-8-10-20(11-9-19)29(16-23(24,25)26)33(31,32)21-7-5-4-6-18(21)3/h4-7,17,19-20H,8-16H2,1-3H3
InChIKeyAYOHJYSPVPCXRH-UHFFFAOYSA-N
MW489.60 g/mol
LogP3.66
Rot. Bonds6

About 2-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 67394707) has the molecular formula C23H34F3N3O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is 2-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID67394707
Molecular FormulaC23H34F3N3O3S
Molecular Weight489.60 g/mol
Exact Mass489.23
IUPAC Name2-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(CC(F)(F)F)C1CCC(C(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C23H34F3N3O3S/c1-17(2)27-12-14-28(15-13-27)22(30)19-8-10-20(11-9-19)29(16-23(24,25)26)33(31,32)21-7-5-4-6-18(21)3/h4-7,17,19-20H,8-16H2,1-3H3
InChIKeyAYOHJYSPVPCXRH-UHFFFAOYSA-N
XLogP3.66
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 67394707) is 2-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)N(CC(F)(F)F)C1CCC(C(=O)N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 2-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is AYOHJYSPVPCXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F3N3O3S/c1-17(2)27-12-14-28(15-13-27)22(30)19-8-10-20(11-9-19)29(16-23(24,25)26)33(31,32)21-7-5-4-6-18(21)3/h4-7,17,19-20H,8-16H2,1-3H3.
What are the key properties of 2-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 489.60 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 67394707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).