3-cyano-4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide

C14H16N4O2S2 — CID 75374118

IUPAC3-cyano-4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
SMILESCCc1nc(CCNc2ccc(S(N)(=O)=O)cc2C#N)cs1
InChIInChI=1S/C14H16N4O2S2/c1-2-14-18-11(9-21-14)5-6-17-13-4-3-12(22(16,19)20)7-10(13)8-15/h3-4,7,9,17H,2,5-6H2,1H3,(H2,16,19,20)
InChIKeyFMTHSZAZMILDFM-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.88
Rot. Bonds6

About 3-cyano-4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide

3-cyano-4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide (PubChem CID 75374118) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-cyano-4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
PubChem CID75374118
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC Name3-cyano-4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
SMILESCCc1nc(CCNc2ccc(S(N)(=O)=O)cc2C#N)cs1
InChIInChI=1S/C14H16N4O2S2/c1-2-14-18-11(9-21-14)5-6-17-13-4-3-12(22(16,19)20)7-10(13)8-15/h3-4,7,9,17H,2,5-6H2,1H3,(H2,16,19,20)
InChIKeyFMTHSZAZMILDFM-UHFFFAOYSA-N
XLogP1.88
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 3-cyano-4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide (CID 75374118) is 3-cyano-4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 3-cyano-4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide is CCc1nc(CCNc2ccc(S(N)(=O)=O)cc2C#N)cs1.
What is the InChIKey of 3-cyano-4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide?
The InChIKey is FMTHSZAZMILDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-2-14-18-11(9-21-14)5-6-17-13-4-3-12(22(16,19)20)7-10(13)8-15/h3-4,7,9,17H,2,5-6H2,1H3,(H2,16,19,20).
What are the key properties of 3-cyano-4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide?
3-cyano-4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide has a molecular weight of 336.44 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 75374118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).