2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide

C24H24N4O2S — CID 166490660

IUPAC2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
SMILESCc1cc(-c2n[nH]c(C)c2-c2ccc(-c3ccc(S(N)(=O)=O)c(C)c3C)cc2)ccn1
InChIInChI=1S/C24H24N4O2S/c1-14-13-20(11-12-26-14)24-23(17(4)27-28-24)19-7-5-18(6-8-19)21-9-10-22(31(25,29)30)16(3)15(21)2/h5-13H,1-4H3,(H,27,28)(H2,25,29,30)
InChIKeyQNJVXCNPCBDCRT-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.69
Rot. Bonds4

About 2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide

2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide (PubChem CID 166490660) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
PubChem CID166490660
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
SMILESCc1cc(-c2n[nH]c(C)c2-c2ccc(-c3ccc(S(N)(=O)=O)c(C)c3C)cc2)ccn1
InChIInChI=1S/C24H24N4O2S/c1-14-13-20(11-12-26-14)24-23(17(4)27-28-24)19-7-5-18(6-8-19)21-9-10-22(31(25,29)30)16(3)15(21)2/h5-13H,1-4H3,(H,27,28)(H2,25,29,30)
InChIKeyQNJVXCNPCBDCRT-UHFFFAOYSA-N
XLogP4.69
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-isoquinoline-6-sulfonic acid amide
CID 118660675
2,3-dimethyl-4-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490564
2,3-dimethyl-4-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490568
3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490570
4-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]-2,3-dimethylbenzenesulfonamide
CID 166490572
3-[4-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490574
3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide
CID 166490576
3-[4-[5-(2,6-dimethyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490584
2,3-dimethyl-4-[4-[5-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490587
4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490599
3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490601
4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine
CID 166490602

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide (CID 166490660) is 2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide is Cc1cc(-c2n[nH]c(C)c2-c2ccc(-c3ccc(S(N)(=O)=O)c(C)c3C)cc2)ccn1.
What is the InChIKey of 2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide?
The InChIKey is QNJVXCNPCBDCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-14-13-20(11-12-26-14)24-23(17(4)27-28-24)19-7-5-18(6-8-19)21-9-10-22(31(25,29)30)16(3)15(21)2/h5-13H,1-4H3,(H,27,28)(H2,25,29,30).
What are the key properties of 2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide?
2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide has a molecular weight of 432.55 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 166490660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).