4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide

C13H18N4O2S — CID 102803397

IUPAC4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)Nc1cn(C)nc1C
InChIInChI=1S/C13H18N4O2S/c1-8-5-11(14)6-9(2)13(8)20(18,19)16-12-7-17(4)15-10(12)3/h5-7,16H,14H2,1-4H3
InChIKeyWIQNQYWJSSZCKW-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.73
Rot. Bonds3

About 4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide

4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide (PubChem CID 102803397) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide
PubChem CID102803397
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)Nc1cn(C)nc1C
InChIInChI=1S/C13H18N4O2S/c1-8-5-11(14)6-9(2)13(8)20(18,19)16-12-7-17(4)15-10(12)3/h5-7,16H,14H2,1-4H3
InChIKeyWIQNQYWJSSZCKW-UHFFFAOYSA-N
XLogP1.73
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.73
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

N-(1,3-dimethylpyrazol-4-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327562
4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 79589626
5-amino-2-chloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803345
5-amino-2-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803498
3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803496
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 102803480
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 102803440
2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide
CID 102807196
4-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106920416
4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 22209076
4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462048
3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803406

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide (CID 102803397) is 4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)Nc1cn(C)nc1C.
What is the InChIKey of 4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is WIQNQYWJSSZCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-8-5-11(14)6-9(2)13(8)20(18,19)16-12-7-17(4)15-10(12)3/h5-7,16H,14H2,1-4H3.
What are the key properties of 4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide?
4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 102803397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).