N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide

C20H21N3O3S — CID 113012405

IUPACN-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1CNc1ccc(NS(=O)(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C20H21N3O3S/c1-15-7-10-18(11-8-15)27(24,25)23-17-9-12-20(22-14-17)21-13-16-5-3-4-6-19(16)26-2/h3-12,14,23H,13H2,1-2H3,(H,21,22)
InChIKeyUCFQIXQIUOYOBC-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.81
Rot. Bonds7

About N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide

N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 113012405) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID113012405
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1CNc1ccc(NS(=O)(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C20H21N3O3S/c1-15-7-10-18(11-8-15)27(24,25)23-17-9-12-20(22-14-17)21-13-16-5-3-4-6-19(16)26-2/h3-12,14,23H,13H2,1-2H3,(H,21,22)
InChIKeyUCFQIXQIUOYOBC-UHFFFAOYSA-N
XLogP3.81
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012399
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724
4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011637
N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide
CID 112983555
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113011512
N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113010523
2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026561
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027386
6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide
CID 55986852
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113012346
1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
CID 113012390
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113011606

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide (CID 113012405) is N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide is COc1ccccc1CNc1ccc(NS(=O)(=O)c2ccc(C)cc2)cn1.
What is the InChIKey of N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is UCFQIXQIUOYOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-15-7-10-18(11-8-15)27(24,25)23-17-9-12-20(22-14-17)21-13-16-5-3-4-6-19(16)26-2/h3-12,14,23H,13H2,1-2H3,(H,21,22).
What are the key properties of N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide?
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 113012405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).