6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline

C23H18N4O2S — CID 17497982

IUPAC6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESO=S(=O)(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccc2nccnc2c1
InChIInChI=1S/C23H18N4O2S/c28-30(29,19-9-5-2-6-10-19)27-23(16-21(26-27)17-7-3-1-4-8-17)18-11-12-20-22(15-18)25-14-13-24-20/h1-15,23H,16H2
InChIKeySFJJWYBHIUZUKC-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.17
Rot. Bonds4

About 6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline

6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline (PubChem CID 17497982) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is 6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline.

Molecular Properties

Compound Name6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
PubChem CID17497982
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC Name6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESO=S(=O)(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccc2nccnc2c1
InChIInChI=1S/C23H18N4O2S/c28-30(29,19-9-5-2-6-10-19)27-23(16-21(26-27)17-7-3-1-4-8-17)18-11-12-20-22(15-18)25-14-13-24-20/h1-15,23H,16H2
InChIKeySFJJWYBHIUZUKC-UHFFFAOYSA-N
XLogP4.17
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(benzenesulfonyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42651265
6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 1417686
6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 29132132
6-[(3S)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42588958
6-[2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 17497995
6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42956562
(3S)-2-(benzenesulfonyl)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazole
CID 7377538
(3R)-2-(benzenesulfonyl)-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazole
CID 7120950
6-[5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 3157414
6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 1091980
2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 4963246
1-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 17497996

Frequently Asked Questions

What is the IUPAC name of 6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The IUPAC name of 6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline (CID 17497982) is 6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline.
What is the SMILES notation for 6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The canonical SMILES for 6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline is O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccc2nccnc2c1.
What is the InChIKey of 6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The InChIKey is SFJJWYBHIUZUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S/c28-30(29,19-9-5-2-6-10-19)27-23(16-21(26-27)17-7-3-1-4-8-17)18-11-12-20-22(15-18)25-14-13-24-20/h1-15,23H,16H2.
What are the key properties of 6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline?
6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline has a molecular weight of 414.49 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline is sourced from PubChem (CID 17497982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).