N-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride

C30H25Cl2F5N4O4S2 — CID 144826684

IUPACN-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride
SMILESCc1cc(S(=O)N2CCCC2C(=O)NCc2cc(-c3ccc(C(F)(F)F)nc3)c(Cl)cn2)ccc1F.O=S(=O)(Cl)c1ccc(F)cc1
InChIInChI=1S/C24H21ClF4N4O2S.C6H4ClFO2S/c1-14-9-17(5-6-20(14)26)36(35)33-8-2-3-21(33)23(34)32-12-16-10-18(19(25)13-30-16)15-4-7-22(31-11-15)24(27,28)29;7-11(9,10)6-3-1-5(8)2-4-6/h4-7,9-11,13,21H,2-3,8,12H2,1H3,(H,32,34);1-4H
InChIKeyNGBXOOZPULFQDM-UHFFFAOYSA-N
MW735.58 g/mol
LogP6.82
Rot. Bonds7

About N-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride

N-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride (PubChem CID 144826684) has the molecular formula C30H25Cl2F5N4O4S2 and a molecular weight of 735.58 g/mol. Its IUPAC name is N-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound NameN-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride
PubChem CID144826684
Molecular FormulaC30H25Cl2F5N4O4S2
Molecular Weight735.58 g/mol
Exact Mass734.06
IUPAC NameN-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride
SMILESCc1cc(S(=O)N2CCCC2C(=O)NCc2cc(-c3ccc(C(F)(F)F)nc3)c(Cl)cn2)ccc1F.O=S(=O)(Cl)c1ccc(F)cc1
InChIInChI=1S/C24H21ClF4N4O2S.C6H4ClFO2S/c1-14-9-17(5-6-20(14)26)36(35)33-8-2-3-21(33)23(34)32-12-16-10-18(19(25)13-30-16)15-4-7-22(31-11-15)24(27,28)29;7-11(9,10)6-3-1-5(8)2-4-6/h4-7,9-11,13,21H,2-3,8,12H2,1H3,(H,32,34);1-4H
InChIKeyNGBXOOZPULFQDM-UHFFFAOYSA-N
XLogP6.82
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.58
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride 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 N-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride?
The IUPAC name of N-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride (CID 144826684) is N-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for N-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride?
The canonical SMILES for N-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride is Cc1cc(S(=O)N2CCCC2C(=O)NCc2cc(-c3ccc(C(F)(F)F)nc3)c(Cl)cn2)ccc1F.O=S(=O)(Cl)c1ccc(F)cc1.
What is the InChIKey of N-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride?
The InChIKey is NGBXOOZPULFQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF4N4O2S.C6H4ClFO2S/c1-14-9-17(5-6-20(14)26)36(35)33-8-2-3-21(33)23(34)32-12-16-10-18(19(25)13-30-16)15-4-7-22(31-11-15)24(27,28)29;7-11(9,10)6-3-1-5(8)2-4-6/h4-7,9-11,13,21H,2-3,8,12H2,1H3,(H,32,34);1-4H.
What are the key properties of N-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride?
N-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride has a molecular weight of 735.58 g/mol, XLogP of 6.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]-1-(4-fluoro-3-methylphenyl)sulfinylpyrrolidine-2-carboxamide;4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 144826684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).