N-(4-tert-butylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide;bis(4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide);methane;N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-propan-2-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C105H96Cl2F6N10O17S6 — CID 160859555

IUPACN-(4-tert-butylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide;bis(4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide);methane;N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-propan-2-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESC.C.CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3S(C)(=O)=O)cc2)cc1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)cc1.CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)cc1.CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)cc1.CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)cc1
InChIInChI=1S/C23H24N2O5S2.C22H19F3N2O3S.C20H15F3N2O3S.2C19H15ClN2O3S.2CH4/c1-23(2,3)32(29,30)19-13-11-18(12-14-19)25-22(26)17-9-7-16(8-10-17)21-20(31(4,27)28)6-5-15-24-21;1-14(2)31(29,30)18-11-9-17(10-12-18)27-21(28)16-7-5-15(6-8-16)20-19(22(23,24)25)4-3-13-26-20;1-29(27,28)16-10-8-15(9-11-16)25-19(26)14-6-4-13(5-7-14)18-17(20(21,22)23)3-2-12-24-18;2*1-26(24,25)16-10-8-15(9-11-16)22-19(23)14-6-4-13(5-7-14)18-17(20)3-2-12-21-18;;/h5-15H,1-4H3,(H,25,26);3-14H,1-2H3,(H,27,28);2-12H,1H3,(H,25,26);2*2-12H,1H3,(H,22,23);2*1H4
InChIKeySKHKLWXFGJCKPN-UHFFFAOYSA-N
MW2147.27 g/mol
LogP22.99
Rot. Bonds22

About N-(4-tert-butylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide;bis(4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide);methane;N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-propan-2-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

N-(4-tert-butylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide;bis(4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide);methane;N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-propan-2-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 160859555) has the molecular formula C105H96Cl2F6N10O17S6 and a molecular weight of 2147.27 g/mol. Its IUPAC name is N-(4-tert-butylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide;bis(4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide);methane;N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-propan-2-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(4-tert-butylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide;bis(4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide);methane;N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-propan-2-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID160859555
Molecular FormulaC105H96Cl2F6N10O17S6
Molecular Weight2147.27 g/mol
Exact Mass2144.46
IUPAC NameN-(4-tert-butylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide;bis(4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide);methane;N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-propan-2-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESC.C.CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3S(C)(=O)=O)cc2)cc1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)cc1.CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)cc1.CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)cc1.CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)cc1
InChIInChI=1S/C23H24N2O5S2.C22H19F3N2O3S.C20H15F3N2O3S.2C19H15ClN2O3S.2CH4/c1-23(2,3)32(29,30)19-13-11-18(12-14-19)25-22(26)17-9-7-16(8-10-17)21-20(31(4,27)28)6-5-15-24-21;1-14(2)31(29,30)18-11-9-17(10-12-18)27-21(28)16-7-5-15(6-8-16)20-19(22(23,24)25)4-3-13-26-20;1-29(27,28)16-10-8-15(9-11-16)25-19(26)14-6-4-13(5-7-14)18-17(20(21,22)23)3-2-12-24-18;2*1-26(24,25)16-10-8-15(9-11-16)22-19(23)14-6-4-13(5-7-14)18-17(20)3-2-12-21-18;;/h5-15H,1-4H3,(H,25,26);3-14H,1-2H3,(H,27,28);2-12H,1H3,(H,25,26);2*2-12H,1H3,(H,22,23);2*1H4
InChIKeySKHKLWXFGJCKPN-UHFFFAOYSA-N
XLogP22.99
TPSA414.79 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002147.27
LogP ≤ 522.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

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Related Compounds

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157213887
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157282964
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157391405
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 158294820
3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 158893476
N-[4-(benzenesulfonyl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide;N-[4-(benzenesulfonyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide;N-[4-(dimethylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;methane;N-[4-(4-methylphenyl)sulfonylphenyl]-4-(3-methylsulfonyl-2-pyridinyl)benzamide
CID 159182297
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylbenzamide
CID 159604811
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 159665512
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 159933061
4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide;6-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyridine-3-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-4-(3-methylsulfonyl-2-pyridinyl)benzamide;methane;4-(3-methylsulfonyl-2-pyridinyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;N-(4-piperidin-1-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 159952003
2-Tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 159970418
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 160138150

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide;bis(4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide);methane;N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-propan-2-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(4-tert-butylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide;bis(4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide);methane;N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-propan-2-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 160859555) is N-(4-tert-butylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide;bis(4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide);methane;N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-propan-2-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(4-tert-butylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide;bis(4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide);methane;N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-propan-2-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(4-tert-butylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide;bis(4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide);methane;N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-propan-2-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is C.C.CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3S(C)(=O)=O)cc2)cc1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)cc1.CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)cc1.CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)cc1.CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)cc1.
What is the InChIKey of N-(4-tert-butylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide;bis(4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide);methane;N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-propan-2-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is SKHKLWXFGJCKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2.C22H19F3N2O3S.C20H15F3N2O3S.2C19H15ClN2O3S.2CH4/c1-23(2,3)32(29,30)19-13-11-18(12-14-19)25-22(26)17-9-7-16(8-10-17)21-20(31(4,27)28)6-5-15-24-21;1-14(2)31(29,30)18-11-9-17(10-12-18)27-21(28)16-7-5-15(6-8-16)20-19(22(23,24)25)4-3-13-26-20;1-29(27,28)16-10-8-15(9-11-16)25-19(26)14-6-4-13(5-7-14)18-17(20(21,22)23)3-2-12-24-18;2*1-26(24,25)16-10-8-15(9-11-16)22-19(23)14-6-4-13(5-7-14)18-17(20)3-2-12-21-18;;/h5-15H,1-4H3,(H,25,26);3-14H,1-2H3,(H,27,28);2-12H,1H3,(H,25,26);2*2-12H,1H3,(H,22,23);2*1H4.
What are the key properties of N-(4-tert-butylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide;bis(4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide);methane;N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-propan-2-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
N-(4-tert-butylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide;bis(4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide);methane;N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-propan-2-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 2147.27 g/mol, XLogP of 22.99, 22 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide;bis(4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide);methane;N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-propan-2-ylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 160859555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).