N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide

C14H16N4O2S — CID 62960505

IUPACN-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)Cc2cccc(C#N)c2)cn1C
InChIInChI=1S/C14H16N4O2S/c1-11-16-14(10-17(11)2)21(19,20)18(3)9-13-6-4-5-12(7-13)8-15/h4-7,10H,9H2,1-3H3
InChIKeyWVJADCVKKWWRSD-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.42
Rot. Bonds4

About N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide

N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide (PubChem CID 62960505) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide
PubChem CID62960505
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)Cc2cccc(C#N)c2)cn1C
InChIInChI=1S/C14H16N4O2S/c1-11-16-14(10-17(11)2)21(19,20)18(3)9-13-6-4-5-12(7-13)8-15/h4-7,10H,9H2,1-3H3
InChIKeyWVJADCVKKWWRSD-UHFFFAOYSA-N
XLogP1.42
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide
CID 79369438
N-[(3-cyanophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47268104
N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 62981552
N,1,2-trimethyl-N-[(3-methyl-2-pyridinyl)methyl]imidazole-4-sulfonamide
CID 131951567
N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062274
5-amino-N-[(3-cyanophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61111809
N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide
CID 103299693
N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide
CID 62967428
N-[(3-cyanophenyl)methyl]-2-methoxy-N-methylethanesulfonamide
CID 55153232
N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 64987558
1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene
CID 113424588
4-chloro-N-[(3-cyanophenyl)methyl]-N-methylbutane-1-sulfonamide
CID 116815295

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide (CID 62960505) is N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(C)Cc2cccc(C#N)c2)cn1C.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The InChIKey is WVJADCVKKWWRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-11-16-14(10-17(11)2)21(19,20)18(3)9-13-6-4-5-12(7-13)8-15/h4-7,10H,9H2,1-3H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide?
N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide is sourced from PubChem (CID 62960505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).