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

C22H32F3N3O3S — CID 67393574

IUPACN-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)N1CCN(C(=O)C2CCC(N(C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C22H32F3N3O3S/c1-16(2)27-12-14-28(15-13-27)21(29)17-4-8-19(9-5-17)26(3)32(30,31)20-10-6-18(7-11-20)22(23,24)25/h6-7,10-11,16-17,19H,4-5,8-9,12-15H2,1-3H3
InChIKeyAQHDJPYANTXZOO-UHFFFAOYSA-N
MW475.58 g/mol
LogP3.44
Rot. Bonds5

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

N-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 67393574) has the molecular formula C22H32F3N3O3S and a molecular weight of 475.58 g/mol. Its IUPAC name is N-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID67393574
Molecular FormulaC22H32F3N3O3S
Molecular Weight475.58 g/mol
Exact Mass475.21
IUPAC NameN-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)N1CCN(C(=O)C2CCC(N(C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C22H32F3N3O3S/c1-16(2)27-12-14-28(15-13-27)21(29)17-4-8-19(9-5-17)26(3)32(30,31)20-10-6-18(7-11-20)22(23,24)25/h6-7,10-11,16-17,19H,4-5,8-9,12-15H2,1-3H3
InChIKeyAQHDJPYANTXZOO-UHFFFAOYSA-N
XLogP3.44
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide (CID 67393574) is N-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide is CC(C)N1CCN(C(=O)C2CCC(N(C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of N-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AQHDJPYANTXZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F3N3O3S/c1-16(2)27-12-14-28(15-13-27)21(29)17-4-8-19(9-5-17)26(3)32(30,31)20-10-6-18(7-11-20)22(23,24)25/h6-7,10-11,16-17,19H,4-5,8-9,12-15H2,1-3H3.
What are the key properties of N-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
N-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 475.58 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 67393574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).