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

C24H23N5O3S — CID 166490685

IUPAC3-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(-c3cn[nH]c3-c3ccnc(N4CCOCC4)c3)cc2)c1
InChIInChI=1S/C24H23N5O3S/c25-33(30,31)21-3-1-2-19(14-21)17-4-6-18(7-5-17)22-16-27-28-24(22)20-8-9-26-23(15-20)29-10-12-32-13-11-29/h1-9,14-16H,10-13H2,(H,27,28)(H2,25,30,31)
InChIKeyPXPQVTUKVQLXBK-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.29
Rot. Bonds5

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

3-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide (PubChem CID 166490685) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 3-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
PubChem CID166490685
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name3-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(-c3cn[nH]c3-c3ccnc(N4CCOCC4)c3)cc2)c1
InChIInChI=1S/C24H23N5O3S/c25-33(30,31)21-3-1-2-19(14-21)17-4-6-18(7-5-17)22-16-27-28-24(22)20-8-9-26-23(15-20)29-10-12-32-13-11-29/h1-9,14-16H,10-13H2,(H,27,28)(H2,25,30,31)
InChIKeyPXPQVTUKVQLXBK-UHFFFAOYSA-N
XLogP3.29
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide?
The IUPAC name of 3-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide (CID 166490685) is 3-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc(-c3cn[nH]c3-c3ccnc(N4CCOCC4)c3)cc2)c1.
What is the InChIKey of 3-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide?
The InChIKey is PXPQVTUKVQLXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c25-33(30,31)21-3-1-2-19(14-21)17-4-6-18(7-5-17)22-16-27-28-24(22)20-8-9-26-23(15-20)29-10-12-32-13-11-29/h1-9,14-16H,10-13H2,(H,27,28)(H2,25,30,31).
What are the key properties of 3-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide?
3-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide has a molecular weight of 461.55 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 166490685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).