1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide

C12H12N4O2S — CID 60703867

IUPAC1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide
SMILESCn1ccc(NS(=O)(=O)Cc2ccc(C#N)cc2)n1
InChIInChI=1S/C12H12N4O2S/c1-16-7-6-12(14-16)15-19(17,18)9-11-4-2-10(8-13)3-5-11/h2-7H,9H2,1H3,(H,14,15)
InChIKeyRBZZZHJDVRRVFR-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.23
Rot. Bonds4

About 1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide

1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide (PubChem CID 60703867) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide
PubChem CID60703867
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide
SMILESCn1ccc(NS(=O)(=O)Cc2ccc(C#N)cc2)n1
InChIInChI=1S/C12H12N4O2S/c1-16-7-6-12(14-16)15-19(17,18)9-11-4-2-10(8-13)3-5-11/h2-7H,9H2,1H3,(H,14,15)
InChIKeyRBZZZHJDVRRVFR-UHFFFAOYSA-N
XLogP1.23
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide 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

1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide
CID 60807993
1-(4-cyanophenyl)-N-(1,3-dimethylpyrazol-4-yl)methanesulfonamide
CID 102805690
1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 29041806
1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983
1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
CID 63821706
1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide
CID 61461257
1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide
CID 115972431
4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 54921777
1-methyl-3-(sulfamoylamino)pyrazole
CID 112573559
1-(4-cyanophenyl)-N-(2-fluorophenyl)methanesulfonamide
CID 29298688
N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide
CID 61292986
4-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873625

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide (CID 60703867) is 1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide is Cn1ccc(NS(=O)(=O)Cc2ccc(C#N)cc2)n1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide?
The InChIKey is RBZZZHJDVRRVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-16-7-6-12(14-16)15-19(17,18)9-11-4-2-10(8-13)3-5-11/h2-7H,9H2,1H3,(H,14,15).
What are the key properties of 1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide?
1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 60703867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).