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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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).