6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C18H21N5O2S — CID 57404041

IUPAC6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C18H21N5O2S/c1-13-18(14(2)23(3)21-13)22-26(24,25)16-9-10-17(20-12-16)19-11-15-7-5-4-6-8-15/h4-10,12,22H,11H2,1-3H3,(H,19,20)
InChIKeyBFFGKPWVEMOHKA-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.84
Rot. Bonds6

About 6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 57404041) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID57404041
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C18H21N5O2S/c1-13-18(14(2)23(3)21-13)22-26(24,25)16-9-10-17(20-12-16)19-11-15-7-5-4-6-8-15/h4-10,12,22H,11H2,1-3H3,(H,19,20)
InChIKeyBFFGKPWVEMOHKA-UHFFFAOYSA-N
XLogP2.84
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 57404041) is 6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCc2ccccc2)nc1.
What is the InChIKey of 6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is BFFGKPWVEMOHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-13-18(14(2)23(3)21-13)22-26(24,25)16-9-10-17(20-12-16)19-11-15-7-5-4-6-8-15/h4-10,12,22H,11H2,1-3H3,(H,19,20).
What are the key properties of 6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 371.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 57404041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).