N-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide

C12H12N4O2S — CID 63000402

IUPACN-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(C)c2cccc(C#N)c2)[nH]1
InChIInChI=1S/C12H12N4O2S/c1-9-14-8-12(15-9)19(17,18)16(2)11-5-3-4-10(6-11)7-13/h3-6,8H,1-2H3,(H,14,15)
InChIKeyAOALLCRQRNNZJC-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.41
Rot. Bonds3

About N-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide

N-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide (PubChem CID 63000402) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide
PubChem CID63000402
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC NameN-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(C)c2cccc(C#N)c2)[nH]1
InChIInChI=1S/C12H12N4O2S/c1-9-14-8-12(15-9)19(17,18)16(2)11-5-3-4-10(6-11)7-13/h3-6,8H,1-2H3,(H,14,15)
InChIKeyAOALLCRQRNNZJC-UHFFFAOYSA-N
XLogP1.41
TPSA89.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-3-[methyl(methylsulfamoyl)amino]benzene
CID 114807862
N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide
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N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide
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2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide
CID 62982457
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
methyl 2-[(3-cyanophenyl)-methylsulfamoyl]-6-methylbenzoate
CID 49189851
3-[methyl(methylsulfanyl)amino]benzonitrile
CID 146320456
3-[bis(trimethylsilyl)amino]benzonitrile
CID 66602819
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
3-(4-fluoro-N-methylanilino)benzonitrile
CID 102816079
3-[3-ethylsulfonylpropyl(methyl)amino]benzonitrile
CID 65092958
N-[(3-cyanophenyl)methyl]-N-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 32590677

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide (CID 63000402) is N-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)N(C)c2cccc(C#N)c2)[nH]1.
What is the InChIKey of N-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide?
The InChIKey is AOALLCRQRNNZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-9-14-8-12(15-9)19(17,18)16(2)11-5-3-4-10(6-11)7-13/h3-6,8H,1-2H3,(H,14,15).
What are the key properties of N-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide?
N-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 63000402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).