N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide

C21H23N3O3S — CID 113027464

IUPACN-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)nc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-15-4-10-20(12-16(15)2)28(25,26)24-21-11-7-18(14-23-21)22-13-17-5-8-19(27-3)9-6-17/h4-12,14,22H,13H2,1-3H3,(H,23,24)
InChIKeyULUFFXYBMVDSGG-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.12
Rot. Bonds7

About N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide

N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 113027464) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
PubChem CID113027464
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)nc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-15-4-10-20(12-16(15)2)28(25,26)24-21-11-7-18(14-23-21)22-13-17-5-8-19(27-3)9-6-17/h4-12,14,22H,13H2,1-3H3,(H,23,24)
InChIKeyULUFFXYBMVDSGG-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

4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027950
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012489
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027468
2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032534
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113041506
N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026762
2,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023515
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982764

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide (CID 113027464) is N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide is COc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)nc2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is ULUFFXYBMVDSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-4-10-20(12-16(15)2)28(25,26)24-21-11-7-18(14-23-21)22-13-17-5-8-19(27-3)9-6-17/h4-12,14,22H,13H2,1-3H3,(H,23,24).
What are the key properties of N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide?
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide 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 N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113027464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).