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

C23H22N4O2S — CID 166490686

IUPAC3,4-dimethyl-5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(-c2ccc(-c3c(-c4ccncc4)n[nH]c3C)cc2)c1C
InChIInChI=1S/C23H22N4O2S/c1-14-12-20(30(24,28)29)13-21(15(14)2)17-4-6-18(7-5-17)22-16(3)26-27-23(22)19-8-10-25-11-9-19/h4-13H,1-3H3,(H,26,27)(H2,24,28,29)
InChIKeyANMFTTOLZFXYOB-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.38
Rot. Bonds4

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

3,4-dimethyl-5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 166490686) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3,4-dimethyl-5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
PubChem CID166490686
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name3,4-dimethyl-5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(-c2ccc(-c3c(-c4ccncc4)n[nH]c3C)cc2)c1C
InChIInChI=1S/C23H22N4O2S/c1-14-12-20(30(24,28)29)13-21(15(14)2)17-4-6-18(7-5-17)22-16(3)26-27-23(22)19-8-10-25-11-9-19/h4-13H,1-3H3,(H,26,27)(H2,24,28,29)
InChIKeyANMFTTOLZFXYOB-UHFFFAOYSA-N
XLogP4.38
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 56662356
CID 56662356
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

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide (CID 166490686) is 3,4-dimethyl-5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(-c2ccc(-c3c(-c4ccncc4)n[nH]c3C)cc2)c1C.
What is the InChIKey of 3,4-dimethyl-5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is ANMFTTOLZFXYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-14-12-20(30(24,28)29)13-21(15(14)2)17-4-6-18(7-5-17)22-16(3)26-27-23(22)19-8-10-25-11-9-19/h4-13H,1-3H3,(H,26,27)(H2,24,28,29).
What are the key properties of 3,4-dimethyl-5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
3,4-dimethyl-5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166490686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).