1-[3-(3-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide

C21H22N4O3S — CID 174636740

IUPAC1-[3-(3-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(S(=O)(=O)c2nc3ccccc3nc2N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C21H22N4O3S/c1-14-5-4-6-16(13-14)29(27,28)21-20(23-17-7-2-3-8-18(17)24-21)25-11-9-15(10-12-25)19(22)26/h2-8,13,15H,9-12H2,1H3,(H2,22,26)
InChIKeyUZMHZMOVVXRVSE-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.47
Rot. Bonds4

About 1-[3-(3-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide

1-[3-(3-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide (PubChem CID 174636740) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-[3-(3-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide
PubChem CID174636740
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name1-[3-(3-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(S(=O)(=O)c2nc3ccccc3nc2N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C21H22N4O3S/c1-14-5-4-6-16(13-14)29(27,28)21-20(23-17-7-2-3-8-18(17)24-21)25-11-9-15(10-12-25)19(22)26/h2-8,13,15H,9-12H2,1H3,(H2,22,26)
InChIKeyUZMHZMOVVXRVSE-UHFFFAOYSA-N
XLogP2.47
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide (CID 174636740) is 1-[3-(3-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide is Cc1cccc(S(=O)(=O)c2nc3ccccc3nc2N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[3-(3-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide?
The InChIKey is UZMHZMOVVXRVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-14-5-4-6-16(13-14)29(27,28)21-20(23-17-7-2-3-8-18(17)24-21)25-11-9-15(10-12-25)19(22)26/h2-8,13,15H,9-12H2,1H3,(H2,22,26).
What are the key properties of 1-[3-(3-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide?
1-[3-(3-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylphenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 174636740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).