N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane

C69H66Cl2F3N11O8S3 — CID 158181315

IUPACN-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane
SMILESC.CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(C)cc3F)c2)ccn1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(NC(=O)C4CC4)c3)c2C)c(F)c1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4ccnc(C)n4)c3)c2C)c(F)c1
InChIInChI=1S/C24H21ClFN5O2S.C23H21ClFN3O3S.C21H20FN3O3S.CH4/c1-14-4-5-21(20(26)10-14)34(32,33)13-19-15(2)18(12-29-24(19)25)17-6-8-28-23(11-17)31-22-7-9-27-16(3)30-22;1-13-3-6-20(19(25)9-13)32(30,31)12-18-14(2)17(11-27-22(18)24)16-7-8-26-21(10-16)28-23(29)15-4-5-15;1-13-4-5-21(19(22)8-13)29(27,28)25-20-11-17(12-24-15(20)3)16-6-7-23-18(10-16)9-14(2)26;/h4-12H,13H2,1-3H3,(H,27,28,30,31);3,6-11,15H,4-5,12H2,1-2H3,(H,26,28,29);4-8,10-12,25H,9H2,1-3H3;1H4
InChIKeyFYPZOAISAVEVRM-UHFFFAOYSA-N
MW1401.46 g/mol
LogP14.71
Rot. Bonds18

About N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane

N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane (PubChem CID 158181315) has the molecular formula C69H66Cl2F3N11O8S3 and a molecular weight of 1401.46 g/mol. Its IUPAC name is N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane.

Molecular Properties

Compound NameN-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane
PubChem CID158181315
Molecular FormulaC69H66Cl2F3N11O8S3
Molecular Weight1401.46 g/mol
Exact Mass1399.36
IUPAC NameN-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane
SMILESC.CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(C)cc3F)c2)ccn1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(NC(=O)C4CC4)c3)c2C)c(F)c1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4ccnc(C)n4)c3)c2C)c(F)c1
InChIInChI=1S/C24H21ClFN5O2S.C23H21ClFN3O3S.C21H20FN3O3S.CH4/c1-14-4-5-21(20(26)10-14)34(32,33)13-19-15(2)18(12-29-24(19)25)17-6-8-28-23(11-17)31-22-7-9-27-16(3)30-22;1-13-3-6-20(19(25)9-13)32(30,31)12-18-14(2)17(11-27-22(18)24)16-7-8-26-21(10-16)28-23(29)15-4-5-15;1-13-4-5-21(19(22)8-13)29(27,28)25-20-11-17(12-24-15(20)3)16-6-7-23-18(10-16)9-14(2)26;/h4-12H,13H2,1-3H3,(H,27,28,30,31);3,6-11,15H,4-5,12H2,1-2H3,(H,26,28,29);4-8,10-12,25H,9H2,1-3H3;1H4
InChIKeyFYPZOAISAVEVRM-UHFFFAOYSA-N
XLogP14.71
TPSA275.77 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001401.46
LogP ≤ 514.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
CID 123714762
N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 149427022
N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 159402867
N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-4,6-dimethyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine
CID 157398495
2,4-difluoro-N-[2-(methylamino)-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 161390016
N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118249308
N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]pyrrolidine-1-sulfonamide
CID 152861408
N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293549
[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamoyl-methylideneoxidanium
CID 123927524
2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 118249359
ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
CID 152859838
N-[4-[5-(ethylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine
CID 144889387

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane?
The IUPAC name of N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane (CID 158181315) is N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane.
What is the SMILES notation for N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane?
The canonical SMILES for N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane is C.CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(C)cc3F)c2)ccn1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(NC(=O)C4CC4)c3)c2C)c(F)c1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4ccnc(C)n4)c3)c2C)c(F)c1.
What is the InChIKey of N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane?
The InChIKey is FYPZOAISAVEVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2S.C23H21ClFN3O3S.C21H20FN3O3S.CH4/c1-14-4-5-21(20(26)10-14)34(32,33)13-19-15(2)18(12-29-24(19)25)17-6-8-28-23(11-17)31-22-7-9-27-16(3)30-22;1-13-3-6-20(19(25)9-13)32(30,31)12-18-14(2)17(11-27-22(18)24)16-7-8-26-21(10-16)28-23(29)15-4-5-15;1-13-4-5-21(19(22)8-13)29(27,28)25-20-11-17(12-24-15(20)3)16-6-7-23-18(10-16)9-14(2)26;/h4-12H,13H2,1-3H3,(H,27,28,30,31);3,6-11,15H,4-5,12H2,1-2H3,(H,26,28,29);4-8,10-12,25H,9H2,1-3H3;1H4.
What are the key properties of N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane?
N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane has a molecular weight of 1401.46 g/mol, XLogP of 14.71, 18 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane is sourced from PubChem (CID 158181315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).