4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide

C16H16N4O3S — CID 6539619

IUPAC4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESCOc1cccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1
InChIInChI=1S/C16H16N4O3S/c1-23-13-4-2-3-11(9-13)15-10-16(20-19-15)18-12-5-7-14(8-6-12)24(17,21)22/h2-10H,1H3,(H2,17,21,22)(H2,18,19,20)
InChIKeyWMUSBRFXXCFZTI-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.48
Rot. Bonds5

About 4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide

4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide (PubChem CID 6539619) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
PubChem CID6539619
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESCOc1cccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1
InChIInChI=1S/C16H16N4O3S/c1-23-13-4-2-3-11(9-13)15-10-16(20-19-15)18-12-5-7-14(8-6-12)24(17,21)22/h2-10H,1H3,(H2,17,21,22)(H2,18,19,20)
InChIKeyWMUSBRFXXCFZTI-UHFFFAOYSA-N
XLogP2.48
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide 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 4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide (CID 6539619) is 4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide is COc1cccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1.
What is the InChIKey of 4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The InChIKey is WMUSBRFXXCFZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-23-13-4-2-3-11(9-13)15-10-16(20-19-15)18-12-5-7-14(8-6-12)24(17,21)22/h2-10H,1H3,(H2,17,21,22)(H2,18,19,20).
What are the key properties of 4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 6539619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).