3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide

C16H18N4O2S — CID 71862589

IUPAC3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide
SMILESCc1cc(C)c(C#N)c(NC(C)c2cccc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C16H18N4O2S/c1-10-7-11(2)19-16(15(10)9-17)20-12(3)13-5-4-6-14(8-13)23(18,21)22/h4-8,12H,1-3H3,(H,19,20)(H2,18,21,22)
InChIKeyPCJYDCNBRSSDEZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.39
Rot. Bonds4

About 3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide

3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide (PubChem CID 71862589) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide
PubChem CID71862589
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide
SMILESCc1cc(C)c(C#N)c(NC(C)c2cccc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C16H18N4O2S/c1-10-7-11(2)19-16(15(10)9-17)20-12(3)13-5-4-6-14(8-13)23(18,21)22/h4-8,12H,1-3H3,(H,19,20)(H2,18,21,22)
InChIKeyPCJYDCNBRSSDEZ-UHFFFAOYSA-N
XLogP2.39
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 133358707
2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 60871389
4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 60704126
4,6-dimethyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbonitrile
CID 62840867
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
3-[1-(4-bromo-2-cyanoanilino)ethyl]benzenesulfonamide
CID 133407160
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
CID 43773070
4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 63510093
4-[(1S)-1-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl]benzenesulfonamide
CID 146147986
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 104955799

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide (CID 71862589) is 3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide is Cc1cc(C)c(C#N)c(NC(C)c2cccc(S(N)(=O)=O)c2)n1.
What is the InChIKey of 3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide?
The InChIKey is PCJYDCNBRSSDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10-7-11(2)19-16(15(10)9-17)20-12(3)13-5-4-6-14(8-13)23(18,21)22/h4-8,12H,1-3H3,(H,19,20)(H2,18,21,22).
What are the key properties of 3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide?
3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 71862589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).