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

C21H18N4O2S — CID 166490711

IUPAC4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1-c1ccc(-c2cn[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C21H18N4O2S/c1-14-2-7-18(28(22,26)27)12-19(14)15-3-5-16(6-4-15)20-13-24-25-21(20)17-8-10-23-11-9-17/h2-13H,1H3,(H,24,25)(H2,22,26,27)
InChIKeyUTZZUELNWARHHF-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.76
Rot. Bonds4

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

4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 166490711) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
PubChem CID166490711
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1-c1ccc(-c2cn[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C21H18N4O2S/c1-14-2-7-18(28(22,26)27)12-19(14)15-3-5-16(6-4-15)20-13-24-25-21(20)17-8-10-23-11-9-17/h2-13H,1H3,(H,24,25)(H2,22,26,27)
InChIKeyUTZZUELNWARHHF-UHFFFAOYSA-N
XLogP3.76
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide (CID 166490711) is 4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1-c1ccc(-c2cn[nH]c2-c2ccncc2)cc1.
What is the InChIKey of 4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is UTZZUELNWARHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-14-2-7-18(28(22,26)27)12-19(14)15-3-5-16(6-4-15)20-13-24-25-21(20)17-8-10-23-11-9-17/h2-13H,1H3,(H,24,25)(H2,22,26,27).
What are the key properties of 4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166490711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).