4-(aminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C11H14N4O2S — CID 60808162

IUPAC4-(aminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ccc(CN)cc2)n1
InChIInChI=1S/C11H14N4O2S/c1-15-7-6-11(13-15)14-18(16,17)10-4-2-9(8-12)3-5-10/h2-7H,8,12H2,1H3,(H,13,14)
InChIKeyQJNRDXWMSVCFMA-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.68
Rot. Bonds4

About 4-(aminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide

4-(aminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 60808162) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID60808162
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-(aminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ccc(CN)cc2)n1
InChIInChI=1S/C11H14N4O2S/c1-15-7-6-11(13-15)14-18(16,17)10-4-2-9(8-12)3-5-10/h2-7H,8,12H2,1H3,(H,13,14)
InChIKeyQJNRDXWMSVCFMA-UHFFFAOYSA-N
XLogP0.68
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 60808162) is 4-(aminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide is Cn1ccc(NS(=O)(=O)c2ccc(CN)cc2)n1.
What is the InChIKey of 4-(aminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is QJNRDXWMSVCFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-15-7-6-11(13-15)14-18(16,17)10-4-2-9(8-12)3-5-10/h2-7H,8,12H2,1H3,(H,13,14).
What are the key properties of 4-(aminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
4-(aminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 60808162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).