N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide

C108H150N8O14S4+2 — CID 161365647

IUPACN-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CO[n+]1c(C)cccc1C(=O)c1cc(C)c(C)cc1NS(=O)(=O)c1ccc(C)cc1.CO[n+]1cccc(C)c1C(=O)c1cc(C)c(C)cc1NS(=O)(=O)c1ccc(C)cc1.Cc1cc(NS(=O)(=O)c2ccccc2)c(C(=O)c2cccnc2)cc1C.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cccnc2C)cc1
InChIInChI=1S/2C23H24N2O4S.C22H22N2O3S.C20H18N2O3S.10C2H6/c1-15-8-10-19(11-9-15)30(27,28)24-21-14-18(4)17(3)13-20(21)23(26)22-16(2)7-6-12-25(22)29-5;1-15-9-11-19(12-10-15)30(27,28)24-21-14-17(3)16(2)13-20(21)23(26)22-8-6-7-18(4)25(22)29-5;1-14-7-9-18(10-8-14)28(26,27)24-21-13-16(3)15(2)12-20(21)22(25)19-6-5-11-23-17(19)4;1-14-11-18(20(23)16-7-6-10-21-13-16)19(12-15(14)2)22-26(24,25)17-8-4-3-5-9-17;10*1-2/h2*6-14H,1-5H3;5-13,24H,1-4H3;3-13,22H,1-2H3;10*1-2H3/p+2
InChIKeyVPTUSNJHCWXYBL-UHFFFAOYSA-P
MW1912.70 g/mol
LogP24.94
Rot. Bonds22

About N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide

N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide (PubChem CID 161365647) has the molecular formula C108H150N8O14S4+2 and a molecular weight of 1912.70 g/mol. Its IUPAC name is N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide
PubChem CID161365647
Molecular FormulaC108H150N8O14S4+2
Molecular Weight1912.70 g/mol
Exact Mass1911.01
IUPAC NameN-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CO[n+]1c(C)cccc1C(=O)c1cc(C)c(C)cc1NS(=O)(=O)c1ccc(C)cc1.CO[n+]1cccc(C)c1C(=O)c1cc(C)c(C)cc1NS(=O)(=O)c1ccc(C)cc1.Cc1cc(NS(=O)(=O)c2ccccc2)c(C(=O)c2cccnc2)cc1C.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cccnc2C)cc1
InChIInChI=1S/2C23H24N2O4S.C22H22N2O3S.C20H18N2O3S.10C2H6/c1-15-8-10-19(11-9-15)30(27,28)24-21-14-18(4)17(3)13-20(21)23(26)22-16(2)7-6-12-25(22)29-5;1-15-9-11-19(12-10-15)30(27,28)24-21-14-17(3)16(2)13-20(21)23(26)22-8-6-7-18(4)25(22)29-5;1-14-7-9-18(10-8-14)28(26,27)24-21-13-16(3)15(2)12-20(21)22(25)19-6-5-11-23-17(19)4;1-14-11-18(20(23)16-7-6-10-21-13-16)19(12-15(14)2)22-26(24,25)17-8-4-3-5-9-17;10*1-2/h2*6-14H,1-5H3;5-13,24H,1-4H3;3-13,22H,1-2H3;10*1-2H3/p+2
InChIKeyVPTUSNJHCWXYBL-UHFFFAOYSA-P
XLogP24.94
TPSA304.96 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001912.70
LogP ≤ 524.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide (CID 161365647) is N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CO[n+]1c(C)cccc1C(=O)c1cc(C)c(C)cc1NS(=O)(=O)c1ccc(C)cc1.CO[n+]1cccc(C)c1C(=O)c1cc(C)c(C)cc1NS(=O)(=O)c1ccc(C)cc1.Cc1cc(NS(=O)(=O)c2ccccc2)c(C(=O)c2cccnc2)cc1C.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cccnc2C)cc1.
What is the InChIKey of N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide?
The InChIKey is VPTUSNJHCWXYBL-UHFFFAOYSA-P. The full InChI is InChI=1S/2C23H24N2O4S.C22H22N2O3S.C20H18N2O3S.10C2H6/c1-15-8-10-19(11-9-15)30(27,28)24-21-14-18(4)17(3)13-20(21)23(26)22-16(2)7-6-12-25(22)29-5;1-15-9-11-19(12-10-15)30(27,28)24-21-14-17(3)16(2)13-20(21)23(26)22-8-6-7-18(4)25(22)29-5;1-14-7-9-18(10-8-14)28(26,27)24-21-13-16(3)15(2)12-20(21)22(25)19-6-5-11-23-17(19)4;1-14-11-18(20(23)16-7-6-10-21-13-16)19(12-15(14)2)22-26(24,25)17-8-4-3-5-9-17;10*1-2/h2*6-14H,1-5H3;5-13,24H,1-4H3;3-13,22H,1-2H3;10*1-2H3/p+2.
What are the key properties of N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide?
N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide has a molecular weight of 1912.70 g/mol, XLogP of 24.94, 22 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 161365647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).