4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide

C18H18N4O2S — CID 113012724

IUPAC4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccn3)nc2)cc1
InChIInChI=1S/C18H18N4O2S/c1-14-5-8-17(9-6-14)25(23,24)22-16-7-10-18(21-13-16)20-12-15-4-2-3-11-19-15/h2-11,13,22H,12H2,1H3,(H,20,21)
InChIKeyFNFSGAULTBMAOG-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.20
Rot. Bonds6

About 4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide

4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113012724) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
PubChem CID113012724
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccn3)nc2)cc1
InChIInChI=1S/C18H18N4O2S/c1-14-5-8-17(9-6-14)25(23,24)22-16-7-10-18(21-13-16)20-12-15-4-2-3-11-19-15/h2-11,13,22H,12H2,1H3,(H,20,21)
InChIKeyFNFSGAULTBMAOG-UHFFFAOYSA-N
XLogP3.20
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113012405
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
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide
CID 113027696
4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982965
N-[6-(ethylamino)-3-pyridinyl]benzenesulfonamide
CID 71038447
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113010523
N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 58896333
4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011637
2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027719

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide (CID 113012724) is 4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccn3)nc2)cc1.
What is the InChIKey of 4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is FNFSGAULTBMAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-14-5-8-17(9-6-14)25(23,24)22-16-7-10-18(21-13-16)20-12-15-4-2-3-11-19-15/h2-11,13,22H,12H2,1H3,(H,20,21).
What are the key properties of 4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide?
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 354.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113012724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).