N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

C9H12N4O2S — CID 103710702

IUPACN-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCn1cccc1CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H12N4O2S/c1-13-4-2-3-8(13)5-12-16(14,15)9-6-10-11-7-9/h2-4,6-7,12H,5H2,1H3,(H,10,11)
InChIKeyPQQMAVNFYXHYEA-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.23
Rot. Bonds4

About N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 103710702) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID103710702
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCn1cccc1CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H12N4O2S/c1-13-4-2-3-8(13)5-12-16(14,15)9-6-10-11-7-9/h2-4,6-7,12H,5H2,1H3,(H,10,11)
InChIKeyPQQMAVNFYXHYEA-UHFFFAOYSA-N
XLogP0.23
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-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 N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 103710702) is N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is Cn1cccc1CNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is PQQMAVNFYXHYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-13-4-2-3-8(13)5-12-16(14,15)9-6-10-11-7-9/h2-4,6-7,12H,5H2,1H3,(H,10,11).
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 240.29 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 103710702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).