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

C14H16N4O2S — CID 106833177

IUPAC4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2nccn2C)ccc1C#N
InChIInChI=1S/C14H16N4O2S/c1-11-9-13(4-3-12(11)10-15)21(19,20)17-6-5-14-16-7-8-18(14)2/h3-4,7-9,17H,5-6H2,1-2H3
InChIKeyCTHDZFOULWMDSF-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.12
Rot. Bonds5

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

4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 106833177) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
PubChem CID106833177
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2nccn2C)ccc1C#N
InChIInChI=1S/C14H16N4O2S/c1-11-9-13(4-3-12(11)10-15)21(19,20)17-6-5-14-16-7-8-18(14)2/h3-4,7-9,17H,5-6H2,1-2H3
InChIKeyCTHDZFOULWMDSF-UHFFFAOYSA-N
XLogP1.12
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61218136
3-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214726
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422069
6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 62158342
N-(2-aminoethyl)-4-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120998868
N-but-3-ynyl-4-cyano-3-methylbenzenesulfonamide
CID 106833285
4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106832986
4-cyano-3-methyl-N-octylbenzenesulfonamide
CID 106919852
2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61215128
4-cyano-3-methyl-N-prop-2-ynylbenzenesulfonamide
CID 106832941
5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 64608216
2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214867

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide (CID 106833177) is 4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2nccn2C)ccc1C#N.
What is the InChIKey of 4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is CTHDZFOULWMDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-11-9-13(4-3-12(11)10-15)21(19,20)17-6-5-14-16-7-8-18(14)2/h3-4,7-9,17H,5-6H2,1-2H3.
What are the key properties of 4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 304.38 g/mol, XLogP of 1.12, 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-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106833177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).