2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide

C20H22N4O3S — CID 113027719

IUPAC2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C20H22N4O3S/c1-14-10-18(27-3)19(11-15(14)2)28(25,26)24-20-8-7-17(13-23-20)22-12-16-6-4-5-9-21-16/h4-11,13,22H,12H2,1-3H3,(H,23,24)
InChIKeyPELJLYRQHSFQDC-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.51
Rot. Bonds7

About 2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide

2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113027719) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113027719
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C20H22N4O3S/c1-14-10-18(27-3)19(11-15(14)2)28(25,26)24-20-8-7-17(13-23-20)22-12-16-6-4-5-9-21-16/h4-11,13,22H,12H2,1-3H3,(H,23,24)
InChIKeyPELJLYRQHSFQDC-UHFFFAOYSA-N
XLogP3.51
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982979
2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707
4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027726
2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113024189
2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026561
N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide
CID 113027696
2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
CID 113009412
2-(2-methoxyphenoxy)-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113027673
2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 167886085
N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113009809
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724
4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113025121

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide (CID 113027719) is 2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(NCc2ccccn2)cn1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is PELJLYRQHSFQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-10-18(27-3)19(11-15(14)2)28(25,26)24-20-8-7-17(13-23-20)22-12-16-6-4-5-9-21-16/h4-11,13,22H,12H2,1-3H3,(H,23,24).
What are the key properties of 2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113027719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).