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

C12H16N4O3S — CID 102803440

IUPAC2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cn(C)nc2C)c(N)c1
InChIInChI=1S/C12H16N4O3S/c1-8-11(7-16(2)14-8)15-20(17,18)12-5-4-9(19-3)6-10(12)13/h4-7,15H,13H2,1-3H3
InChIKeyOYVBHZDOFOCQSI-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.12
Rot. Bonds4

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

2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide (PubChem CID 102803440) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
PubChem CID102803440
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cn(C)nc2C)c(N)c1
InChIInChI=1S/C12H16N4O3S/c1-8-11(7-16(2)14-8)15-20(17,18)12-5-4-9(19-3)6-10(12)13/h4-7,15H,13H2,1-3H3
InChIKeyOYVBHZDOFOCQSI-UHFFFAOYSA-N
XLogP1.12
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28522742
5-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 102803478
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-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803406
2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide
CID 102807196
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 102803480
3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803496
2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 43555521
4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide
CID 102803397
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide
CID 102807205
3-amino-4-bromo-5-chloro-N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 103077773

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide (CID 102803440) is 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cn(C)nc2C)c(N)c1.
What is the InChIKey of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide?
The InChIKey is OYVBHZDOFOCQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-8-11(7-16(2)14-8)15-20(17,18)12-5-4-9(19-3)6-10(12)13/h4-7,15H,13H2,1-3H3.
What are the key properties of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide?
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 102803440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).