4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C12H16N4O2S — CID 79589626

IUPAC4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H16N4O2S/c1-8-6-10(13)7-9(2)12(8)19(17,18)15-11-4-5-16(3)14-11/h4-7H,13H2,1-3H3,(H,14,15)
InChIKeyRTJAGKMRXZWPCB-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.42
Rot. Bonds3

About 4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide

4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 79589626) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID79589626
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H16N4O2S/c1-8-6-10(13)7-9(2)12(8)19(17,18)15-11-4-5-16(3)14-11/h4-7H,13H2,1-3H3,(H,14,15)
InChIKeyRTJAGKMRXZWPCB-UHFFFAOYSA-N
XLogP1.42
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 22209061
3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 115421296
4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide
CID 102803397
1,3,5-trimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 22209066
1-methyl-3-(sulfamoylamino)pyrazole
CID 112573559
3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 25041271
5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 60808972
3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 114379018
3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 54920333
4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79557755
3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81423518
N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide
CID 17378925

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 79589626) is 4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)Nc1ccn(C)n1.
What is the InChIKey of 4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is RTJAGKMRXZWPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8-6-10(13)7-9(2)12(8)19(17,18)15-11-4-5-16(3)14-11/h4-7H,13H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 79589626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).