(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide

C18H24ClF3N2O3S — CID 56833945

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide
SMILESNC(=O)[C@@H](CCC(F)(F)F)N(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClF3N2O3S/c19-14-6-8-15(9-7-14)28(26,27)24(12-13-4-2-1-3-5-13)16(17(23)25)10-11-18(20,21)22/h6-9,13,16H,1-5,10-12H2,(H2,23,25)/t16-/m1/s1
InChIKeyIWDLRGADTXVFSB-MRXNPFEDSA-N
MW440.92 g/mol
LogP4.11
Rot. Bonds8

About (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide (PubChem CID 56833945) has the molecular formula C18H24ClF3N2O3S and a molecular weight of 440.92 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide
PubChem CID56833945
Molecular FormulaC18H24ClF3N2O3S
Molecular Weight440.92 g/mol
Exact Mass440.11
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide
SMILESNC(=O)[C@@H](CCC(F)(F)F)N(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClF3N2O3S/c19-14-6-8-15(9-7-14)28(26,27)24(12-13-4-2-1-3-5-13)16(17(23)25)10-11-18(20,21)22/h6-9,13,16H,1-5,10-12H2,(H2,23,25)/t16-/m1/s1
InChIKeyIWDLRGADTXVFSB-MRXNPFEDSA-N
XLogP4.11
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.92
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide (CID 56833945) is (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide is NC(=O)[C@@H](CCC(F)(F)F)N(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide?
The InChIKey is IWDLRGADTXVFSB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24ClF3N2O3S/c19-14-6-8-15(9-7-14)28(26,27)24(12-13-4-2-1-3-5-13)16(17(23)25)10-11-18(20,21)22/h6-9,13,16H,1-5,10-12H2,(H2,23,25)/t16-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide has a molecular weight of 440.92 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-5,5,5-trifluoropentanamide is sourced from PubChem (CID 56833945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).