4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one

C26H26N4O4S — CID 38098863

IUPAC4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c2ccccc2N1
InChIInChI=1S/C26H26N4O4S/c31-25-19-30(24-12-5-4-11-23(24)27-25)26(32)21-8-6-7-20(17-21)18-28-13-15-29(16-14-28)35(33,34)22-9-2-1-3-10-22/h1-12,17H,13-16,18-19H2,(H,27,31)
InChIKeyCGGRDRSPDAXPKT-UHFFFAOYSA-N
MW490.59 g/mol
LogP2.79
Rot. Bonds5

About 4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one

4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 38098863) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is 4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID38098863
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC Name4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c2ccccc2N1
InChIInChI=1S/C26H26N4O4S/c31-25-19-30(24-12-5-4-11-23(24)27-25)26(32)21-8-6-7-20(17-21)18-28-13-15-29(16-14-28)35(33,34)22-9-2-1-3-10-22/h1-12,17H,13-16,18-19H2,(H,27,31)
InChIKeyCGGRDRSPDAXPKT-UHFFFAOYSA-N
XLogP2.79
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 30398183
4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 43004414
4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16802704
4-[3-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43156396
4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 26263034
3-[[4-(benzenesulfonyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122028806
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 43918658
4-bromo-N-methyl-N-[[3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 59700592
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43924269
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-phenylsulfanylethyl)benzamide
CID 43920651

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one (CID 38098863) is 4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2cccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c2ccccc2N1.
What is the InChIKey of 4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is CGGRDRSPDAXPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c31-25-19-30(24-12-5-4-11-23(24)27-25)26(32)21-8-6-7-20(17-21)18-28-13-15-29(16-14-28)35(33,34)22-9-2-1-3-10-22/h1-12,17H,13-16,18-19H2,(H,27,31).
What are the key properties of 4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one?
4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 490.59 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 38098863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).