N-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide

C21H22FN5O5S — CID 167975731

IUPACN-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide
SMILESO=C(NCCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1)c1ccccc1F
InChIInChI=1S/C21H22FN5O5S/c22-16-4-2-1-3-15(16)19(28)23-7-8-26-9-11-27(12-10-26)33(31,32)14-5-6-17-18(13-14)25-21(30)20(29)24-17/h1-6,13H,7-12H2,(H,23,28)(H,24,29)(H,25,30)
InChIKeyVHNPGKUQJJSNSC-UHFFFAOYSA-N
MW475.50 g/mol
LogP0.09
Rot. Bonds6

About N-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide

N-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide (PubChem CID 167975731) has the molecular formula C21H22FN5O5S and a molecular weight of 475.50 g/mol. Its IUPAC name is N-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide
PubChem CID167975731
Molecular FormulaC21H22FN5O5S
Molecular Weight475.50 g/mol
Exact Mass475.13
IUPAC NameN-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide
SMILESO=C(NCCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1)c1ccccc1F
InChIInChI=1S/C21H22FN5O5S/c22-16-4-2-1-3-15(16)19(28)23-7-8-26-9-11-27(12-10-26)33(31,32)14-5-6-17-18(13-14)25-21(30)20(29)24-17/h1-6,13H,7-12H2,(H,23,28)(H,24,29)(H,25,30)
InChIKeyVHNPGKUQJJSNSC-UHFFFAOYSA-N
XLogP0.09
TPSA135.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571753
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
CID 20933690
2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571824
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide
CID 29195358
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
CID 29196125
2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
N-[2-[(2-fluorobenzoyl)amino]ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55973791
2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide
CID 111488179
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 29196259
4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid
CID 119934831
2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571730
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-methylbenzamide;hydrochloride
CID 18571726

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide (CID 167975731) is N-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide is O=C(NCCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1)c1ccccc1F.
What is the InChIKey of N-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide?
The InChIKey is VHNPGKUQJJSNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O5S/c22-16-4-2-1-3-15(16)19(28)23-7-8-26-9-11-27(12-10-26)33(31,32)14-5-6-17-18(13-14)25-21(30)20(29)24-17/h1-6,13H,7-12H2,(H,23,28)(H,24,29)(H,25,30).
What are the key properties of N-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide?
N-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide has a molecular weight of 475.50 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 167975731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).