N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H11N5O2S — CID 54929854

IUPACN-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccc(N)cc1C#N
InChIInChI=1S/C11H11N5O2S/c1-7-11(6-14-15-7)19(17,18)16-10-3-2-9(13)4-8(10)5-12/h2-4,6,16H,13H2,1H3,(H,14,15)
InChIKeyRITBFHKRODFBHI-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.97
Rot. Bonds3

About N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54929854) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54929854
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC NameN-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccc(N)cc1C#N
InChIInChI=1S/C11H11N5O2S/c1-7-11(6-14-15-7)19(17,18)16-10-3-2-9(13)4-8(10)5-12/h2-4,6,16H,13H2,1H3,(H,14,15)
InChIKeyRITBFHKRODFBHI-UHFFFAOYSA-N
XLogP0.97
TPSA124.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275984
N-(2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930145
N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61274012
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
N-(4-amino-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 43550814
4-amino-2-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 43256224
3-chloro-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenecarbothioamide
CID 107808689
4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 82692232
N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988390
N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 62374272
N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275206
N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929959

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 54929854) is N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1ccc(N)cc1C#N.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is RITBFHKRODFBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c1-7-11(6-14-15-7)19(17,18)16-10-3-2-9(13)4-8(10)5-12/h2-4,6,16H,13H2,1H3,(H,14,15).
What are the key properties of N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 277.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54929854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).