N-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide

C14H16N4O2S — CID 79369438

IUPACN-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(C)Cc2cccc(C#N)c2)c1
InChIInChI=1S/C14H16N4O2S/c1-3-18-10-14(16-11-18)21(19,20)17(2)9-13-6-4-5-12(7-13)8-15/h4-7,10-11H,3,9H2,1-2H3
InChIKeyWTRYNHMSRKGZRF-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.60
Rot. Bonds5

About N-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide

N-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide (PubChem CID 79369438) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide
PubChem CID79369438
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(C)Cc2cccc(C#N)c2)c1
InChIInChI=1S/C14H16N4O2S/c1-3-18-10-14(16-11-18)21(19,20)17(2)9-13-6-4-5-12(7-13)8-15/h4-7,10-11H,3,9H2,1-2H3
InChIKeyWTRYNHMSRKGZRF-UHFFFAOYSA-N
XLogP1.60
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62960505
N-[(3-cyanophenyl)methyl]-1-ethylimidazole-4-sulfonamide
CID 79372852
N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide
CID 103299693
N-[(3-cyanophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47268104
5-amino-N-[(3-cyanophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61111809
N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide
CID 62967428
4-chloro-N-[(3-cyanophenyl)methyl]-N-methylbutane-1-sulfonamide
CID 116815295
N-[(3-cyanophenyl)methyl]-2-methoxy-N-methylethanesulfonamide
CID 55153232
1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide
CID 103741682
N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 64987558
1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide
CID 79373044
1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene
CID 113424588

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide (CID 79369438) is N-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)N(C)Cc2cccc(C#N)c2)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide?
The InChIKey is WTRYNHMSRKGZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-3-18-10-14(16-11-18)21(19,20)17(2)9-13-6-4-5-12(7-13)8-15/h4-7,10-11H,3,9H2,1-2H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide?
N-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide is sourced from PubChem (CID 79369438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).