4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide

C15H15N3O2S — CID 43227022

IUPAC4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide
SMILESCC(Nc1ccccc1C#N)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H15N3O2S/c1-11(18-15-5-3-2-4-13(15)10-16)12-6-8-14(9-7-12)21(17,19)20/h2-9,11,18H,1H3,(H2,17,19,20)
InChIKeyICTCDKDZDBGWFB-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.38
Rot. Bonds4

About 4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide

4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide (PubChem CID 43227022) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide
PubChem CID43227022
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide
SMILESCC(Nc1ccccc1C#N)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H15N3O2S/c1-11(18-15-5-3-2-4-13(15)10-16)12-6-8-14(9-7-12)21(17,19)20/h2-9,11,18H,1H3,(H2,17,19,20)
InChIKeyICTCDKDZDBGWFB-UHFFFAOYSA-N
XLogP2.38
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-iodoanilino)ethyl]benzenesulfonamide
CID 43773421
3-[1-(4-bromo-2-cyanoanilino)ethyl]benzenesulfonamide
CID 133407160
4-[1-[(2-cyanophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615077
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]benzonitrile
CID 43178626
2-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43178628
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
5-nitro-2-[[(1R)-1-phenylethyl]amino]benzonitrile
CID 7922994
4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide
CID 43764060
4-(2-cyanophenyl)benzenesulfonamide
CID 102354115
4-[(1S)-1-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl]benzenesulfonamide
CID 146147986
2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43196698
4-[1-(2-bromoanilino)ethyl]benzonitrile
CID 43194470

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide (CID 43227022) is 4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide is CC(Nc1ccccc1C#N)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide?
The InChIKey is ICTCDKDZDBGWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11(18-15-5-3-2-4-13(15)10-16)12-6-8-14(9-7-12)21(17,19)20/h2-9,11,18H,1H3,(H2,17,19,20).
What are the key properties of 4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide?
4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43227022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).