2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide

C21H23N3O3S — CID 113026561

IUPAC2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(NCc2ccccc2C)cn1
InChIInChI=1S/C21H23N3O3S/c1-15-8-10-19(27-3)20(12-15)28(25,26)24-21-11-9-18(14-23-21)22-13-17-7-5-4-6-16(17)2/h4-12,14,22H,13H2,1-3H3,(H,23,24)
InChIKeyHLOSFZHYQWOSJM-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.12
Rot. Bonds7

About 2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide

2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide (PubChem CID 113026561) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
PubChem CID113026561
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(NCc2ccccc2C)cn1
InChIInChI=1S/C21H23N3O3S/c1-15-8-10-19(27-3)20(12-15)28(25,26)24-21-11-9-18(14-23-21)22-13-17-7-5-4-6-16(17)2/h4-12,14,22H,13H2,1-3H3,(H,23,24)
InChIKeyHLOSFZHYQWOSJM-UHFFFAOYSA-N
XLogP4.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026553
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113011512
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113033057
2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027719
2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
CID 113009406
2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113027057
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113012405
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027386
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026556
2-methoxy-5-methyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]benzenesulfonamide
CID 113023382

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide (CID 113026561) is 2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccc(NCc2ccccc2C)cn1.
What is the InChIKey of 2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide?
The InChIKey is HLOSFZHYQWOSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-8-10-19(27-3)20(12-15)28(25,26)24-21-11-9-18(14-23-21)22-13-17-7-5-4-6-16(17)2/h4-12,14,22H,13H2,1-3H3,(H,23,24).
What are the key properties of 2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113026561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).