3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide

C12H16N4O2S — CID 79889831

IUPAC3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2ccnn2C)c1
InChIInChI=1S/C12H16N4O2S/c1-8-6-10(13)9(2)11(7-8)19(17,18)15-12-4-5-14-16(12)3/h4-7,15H,13H2,1-3H3
InChIKeyPRVIFDJWASZGET-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.42
Rot. Bonds3

About 3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide

3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 79889831) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID79889831
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2ccnn2C)c1
InChIInChI=1S/C12H16N4O2S/c1-8-6-10(13)9(2)11(7-8)19(17,18)15-12-4-5-14-16(12)3/h4-7,15H,13H2,1-3H3
InChIKeyPRVIFDJWASZGET-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide (CID 79889831) is 3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)Nc2ccnn2C)c1.
What is the InChIKey of 3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is PRVIFDJWASZGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8-6-10(13)9(2)11(7-8)19(17,18)15-12-4-5-14-16(12)3/h4-7,15H,13H2,1-3H3.
What are the key properties of 3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
3-amino-2,5-dimethyl-N-(2-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 3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 79889831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).