(4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide

C24H23ClFN3OS — CID 140641985

IUPAC(4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide
SMILESCC(C)(C[C@H](Cc1cc(F)cc(Cl)c1)c1ncccc1-c1cccc(C#N)c1)S(N)=O
InChIInChI=1S/C24H23ClFN3OS/c1-24(2,31(28)30)14-19(10-17-11-20(25)13-21(26)12-17)23-22(7-4-8-29-23)18-6-3-5-16(9-18)15-27/h3-9,11-13,19H,10,14,28H2,1-2H3/t19-,31?/m0/s1
InChIKeyGGRXRVZVBZRBGV-LRECHQAASA-N
MW455.99 g/mol
LogP5.53
Rot. Bonds7

About (4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide

(4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide (PubChem CID 140641985) has the molecular formula C24H23ClFN3OS and a molecular weight of 455.99 g/mol. Its IUPAC name is (4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide.

Molecular Properties

Compound Name(4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide
PubChem CID140641985
Molecular FormulaC24H23ClFN3OS
Molecular Weight455.99 g/mol
Exact Mass455.12
IUPAC Name(4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide
SMILESCC(C)(C[C@H](Cc1cc(F)cc(Cl)c1)c1ncccc1-c1cccc(C#N)c1)S(N)=O
InChIInChI=1S/C24H23ClFN3OS/c1-24(2,31(28)30)14-19(10-17-11-20(25)13-21(26)12-17)23-22(7-4-8-29-23)18-6-3-5-16(9-18)15-27/h3-9,11-13,19H,10,14,28H2,1-2H3/t19-,31?/m0/s1
InChIKeyGGRXRVZVBZRBGV-LRECHQAASA-N
XLogP5.53
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.99
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide 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 (4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide?
The IUPAC name of (4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide (CID 140641985) is (4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide.
What is the SMILES notation for (4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide?
The canonical SMILES for (4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide is CC(C)(C[C@H](Cc1cc(F)cc(Cl)c1)c1ncccc1-c1cccc(C#N)c1)S(N)=O.
What is the InChIKey of (4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide?
The InChIKey is GGRXRVZVBZRBGV-LRECHQAASA-N. The full InChI is InChI=1S/C24H23ClFN3OS/c1-24(2,31(28)30)14-19(10-17-11-20(25)13-21(26)12-17)23-22(7-4-8-29-23)18-6-3-5-16(9-18)15-27/h3-9,11-13,19H,10,14,28H2,1-2H3/t19-,31?/m0/s1.
What are the key properties of (4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide?
(4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide has a molecular weight of 455.99 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(3-chloro-5-fluorophenyl)-4-[3-(3-cyanophenyl)-2-pyridinyl]-2-methylpentane-2-sulfinamide is sourced from PubChem (CID 140641985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).