N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide

C21H23N3O3S — CID 113032298

IUPACN-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3c(C)cccc3C)cn2)cc1C
InChIInChI=1S/C21H23N3O3S/c1-14-6-5-7-15(2)21(14)23-17-8-11-20(22-13-17)24-28(25,26)18-9-10-19(27-4)16(3)12-18/h5-13,23H,1-4H3,(H,22,24)
InChIKeyDKZWGVYYOWBHCQ-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.56
Rot. Bonds6

About N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide

N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 113032298) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
PubChem CID113032298
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3c(C)cccc3C)cn2)cc1C
InChIInChI=1S/C21H23N3O3S/c1-14-6-5-7-15(2)21(14)23-17-8-11-20(22-13-17)24-28(25,26)18-9-10-19(27-4)16(3)12-18/h5-13,23H,1-4H3,(H,22,24)
InChIKeyDKZWGVYYOWBHCQ-UHFFFAOYSA-N
XLogP4.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032223
N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032534
N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 113031264
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027950
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113017219
N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113033338
4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 956359
N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113019808
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113032261
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide (CID 113032298) is N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Nc3c(C)cccc3C)cn2)cc1C.
What is the InChIKey of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is DKZWGVYYOWBHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14-6-5-7-15(2)21(14)23-17-8-11-20(22-13-17)24-28(25,26)18-9-10-19(27-4)16(3)12-18/h5-13,23H,1-4H3,(H,22,24).
What are the key properties of N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide?
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 113032298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).