N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide

C20H21N3O3S — CID 113011512

IUPACN-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C20H21N3O3S/c1-15-8-10-18(26-2)19(12-15)27(24,25)23-17-9-11-20(22-14-17)21-13-16-6-4-3-5-7-16/h3-12,14,23H,13H2,1-2H3,(H,21,22)
InChIKeyMRVVCAPCRRXHCC-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.81
Rot. Bonds7

About N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide

N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 113011512) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID113011512
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C20H21N3O3S/c1-15-8-10-18(26-2)19(12-15)27(24,25)23-17-9-11-20(22-14-17)21-13-16-6-4-3-5-7-16/h3-12,14,23H,13H2,1-2H3,(H,21,22)
InChIKeyMRVVCAPCRRXHCC-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

2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
CID 113009406
2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026561
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012489
2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011741
2-methoxy-5-methyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]benzenesulfonamide
CID 113023382
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113012405
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113033057
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011825
N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113026445
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide (CID 113011512) is N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccc(NCc2ccccc2)nc1.
What is the InChIKey of N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is MRVVCAPCRRXHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-15-8-10-18(26-2)19(12-15)27(24,25)23-17-9-11-20(22-14-17)21-13-16-6-4-3-5-7-16/h3-12,14,23H,13H2,1-2H3,(H,21,22).
What are the key properties of N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-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-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 113011512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).