2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide

C12H16N4O2S — CID 107116898

IUPAC2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide
SMILESCc1cnn(-c2cccc(S(=O)(=O)N(C)C)c2N)c1
InChIInChI=1S/C12H16N4O2S/c1-9-7-14-16(8-9)10-5-4-6-11(12(10)13)19(17,18)15(2)3/h4-8H,13H2,1-3H3
InChIKeyDZOZVWOIVHHATF-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.01
Rot. Bonds3

About 2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide

2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide (PubChem CID 107116898) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide
PubChem CID107116898
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide
SMILESCc1cnn(-c2cccc(S(=O)(=O)N(C)C)c2N)c1
InChIInChI=1S/C12H16N4O2S/c1-9-7-14-16(8-9)10-5-4-6-11(12(10)13)19(17,18)15(2)3/h4-8H,13H2,1-3H3
InChIKeyDZOZVWOIVHHATF-UHFFFAOYSA-N
XLogP1.01
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(4-methylpyrazol-1-yl)aniline
CID 84661085
2-amino-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107116905
2-amino-3-(azepan-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107115405
2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107116911
2-amino-3-(4-chloropyrazol-1-yl)benzenesulfonamide
CID 112675046
2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide
CID 107116226
ethyl 1-(2-amino-3-sulfamoylphenyl)pyrazole-4-carboxylate
CID 115992951
2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide
CID 107116642
4-methyl-1-(2-methylphenyl)pyrazole
CID 12902538
2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107116779
2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide
CID 107115709
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide (CID 107116898) is 2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide is Cc1cnn(-c2cccc(S(=O)(=O)N(C)C)c2N)c1.
What is the InChIKey of 2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is DZOZVWOIVHHATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-7-14-16(8-9)10-5-4-6-11(12(10)13)19(17,18)15(2)3/h4-8H,13H2,1-3H3.
What are the key properties of 2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide?
2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 107116898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).