N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide

C21H23N3O3S — CID 113019808

IUPACN-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(C)cc1Nc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C21H23N3O3S/c1-14-5-9-20(27-4)19(11-14)23-21-10-7-17(13-22-21)24-28(25,26)18-8-6-15(2)16(3)12-18/h5-13,24H,1-4H3,(H,22,23)
InChIKeyFYDPZOILSQCZMZ-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.56
Rot. Bonds6

About N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide

N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 113019808) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
PubChem CID113019808
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(C)cc1Nc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C21H23N3O3S/c1-14-5-9-20(27-4)19(11-14)23-21-10-7-17(13-22-21)24-28(25,26)18-8-6-15(2)16(3)12-18/h5-13,24H,1-4H3,(H,22,23)
InChIKeyFYDPZOILSQCZMZ-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-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113048599
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032223
6-(2-methoxy-5-methylanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267586
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113016930
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268
N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018806
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032298
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
2-methoxy-5-methyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]benzenesulfonamide
CID 113023382
2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016171
4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017943

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide (CID 113019808) is N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide is COc1ccc(C)cc1Nc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cn1.
What is the InChIKey of N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is FYDPZOILSQCZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14-5-9-20(27-4)19(11-14)23-21-10-7-17(13-22-21)24-28(25,26)18-8-6-15(2)16(3)12-18/h5-13,24H,1-4H3,(H,22,23).
What are the key properties of N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide?
N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide 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-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113019808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).