N-[4-(2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide

C20H19N5O3S — CID 2963427

IUPACN-[4-(2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
SMILESCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccc2nccnc2c1
InChIInChI=1S/C20H19N5O3S/c1-13(26)25-20(15-5-8-17-19(11-15)22-10-9-21-17)12-18(23-25)14-3-6-16(7-4-14)24-29(2,27)28/h3-11,20,24H,12H2,1-2H3
InChIKeyNLKRGNCKUGWQFA-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.70
Rot. Bonds4

About N-[4-(2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide

N-[4-(2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide (PubChem CID 2963427) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[4-(2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
PubChem CID2963427
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC NameN-[4-(2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
SMILESCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccc2nccnc2c1
InChIInChI=1S/C20H19N5O3S/c1-13(26)25-20(15-5-8-17-19(11-15)22-10-9-21-17)12-18(23-25)14-3-6-16(7-4-14)24-29(2,27)28/h3-11,20,24H,12H2,1-2H3
InChIKeyNLKRGNCKUGWQFA-UHFFFAOYSA-N
XLogP2.70
TPSA104.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(quinoxalin-2-yl)phenyl]methanesulfonamide
CID 1485426
N-(3-quinoxalin-2-ylphenyl)acetamide
CID 650863
N-(3-quinoxalin-2-ylphenyl)propanamide
CID 952076
4-Oxo-4-(3-phenyl-5-quinoxalin-6-yl-4,5-dihydro-pyrazol-1-yl)-butyric acid
CID 2952171
1,2-dimethyl-4-phenyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
CID 16730828
N-(3-(1,2-dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-dihydro-1H-pyrazol-4-yl)phenyl)acetamide
CID 16730911
N-(3-(1,2-dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-dihydro-1H-pyrazol-4-yl)phenyl)methanesulfonamide
CID 46226922
[2-Oxo-2-(3-quinoxalin-2-ylanilino)ethyl] methanesulfonate
CID 46916458
6-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoxaline
CID 4575279
6-(1-(ethylsulfonyl)-3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)quinoxaline
CID 12005791
(R,E)-2-amino-3-methyl-N'-(quinoxalin-6-ylmethylene)butanehydrazide hydrochloride
CID 52998417
6-(1-(methylsulfonyl)-3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)quinoxaline
CID 2953309

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide (CID 2963427) is N-[4-(2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide is CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccc2nccnc2c1.
What is the InChIKey of N-[4-(2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The InChIKey is NLKRGNCKUGWQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-13(26)25-20(15-5-8-17-19(11-15)22-10-9-21-17)12-18(23-25)14-3-6-16(7-4-14)24-29(2,27)28/h3-11,20,24H,12H2,1-2H3.
What are the key properties of N-[4-(2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
N-[4-(2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 2963427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).