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

C14H15N3O2S2 — CID 106832986

IUPAC4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2ccc(C#N)c(C)c2)cs1
InChIInChI=1S/C14H15N3O2S2/c1-10-7-14(4-3-12(10)8-15)21(18,19)16-6-5-13-9-20-11(2)17-13/h3-4,7,9,16H,5-6H2,1-2H3
InChIKeyUABVHQGISCHFFX-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.15
Rot. Bonds5

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

4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 106832986) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID106832986
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2ccc(C#N)c(C)c2)cs1
InChIInChI=1S/C14H15N3O2S2/c1-10-7-14(4-3-12(10)8-15)21(18,19)16-6-5-13-9-20-11(2)17-13/h3-4,7,9,16H,5-6H2,1-2H3
InChIKeyUABVHQGISCHFFX-UHFFFAOYSA-N
XLogP2.15
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide
CID 18554591
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 106049680
4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 51125777
N-(2-aminoethyl)-4-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120998868
N-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 3243012
N-but-3-ynyl-4-cyano-3-methylbenzenesulfonamide
CID 106833285
4-cyano-3-methyl-N-octylbenzenesulfonamide
CID 106919852
4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 106833177
4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397955
4-cyano-3-methyl-N-prop-2-ynylbenzenesulfonamide
CID 106832941
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-chloro-4-methylbenzenesulfonamide
CID 110717932
5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 110301352

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 106832986) is 4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is Cc1nc(CCNS(=O)(=O)c2ccc(C#N)c(C)c2)cs1.
What is the InChIKey of 4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is UABVHQGISCHFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-10-7-14(4-3-12(10)8-15)21(18,19)16-6-5-13-9-20-11(2)17-13/h3-4,7,9,16H,5-6H2,1-2H3.
What are the key properties of 4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 321.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106832986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).