3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide

C24H22N4O2S — CID 166490601

IUPAC3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cccc(S(N)(=O)=O)c2)c(C2CC2)c1
InChIInChI=1S/C24H22N4O2S/c1-15-23(24(28-27-15)17-9-11-26-12-10-17)19-7-8-21(22(14-19)16-5-6-16)18-3-2-4-20(13-18)31(25,29)30/h2-4,7-14,16H,5-6H2,1H3,(H,27,28)(H2,25,29,30)
InChIKeySRXZEAZXVNKPBH-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.64
Rot. Bonds5

About 3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide

3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 166490601) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
PubChem CID166490601
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cccc(S(N)(=O)=O)c2)c(C2CC2)c1
InChIInChI=1S/C24H22N4O2S/c1-15-23(24(28-27-15)17-9-11-26-12-10-17)19-7-8-21(22(14-19)16-5-6-16)18-3-2-4-20(13-18)31(25,29)30/h2-4,7-14,16H,5-6H2,1H3,(H,27,28)(H2,25,29,30)
InChIKeySRXZEAZXVNKPBH-UHFFFAOYSA-N
XLogP4.64
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]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 3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide (CID 166490601) is 3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide is Cc1[nH]nc(-c2ccncc2)c1-c1ccc(-c2cccc(S(N)(=O)=O)c2)c(C2CC2)c1.
What is the InChIKey of 3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is SRXZEAZXVNKPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-15-23(24(28-27-15)17-9-11-26-12-10-17)19-7-8-21(22(14-19)16-5-6-16)18-3-2-4-20(13-18)31(25,29)30/h2-4,7-14,16H,5-6H2,1H3,(H,27,28)(H2,25,29,30).
What are the key properties of 3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166490601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).