5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid

C17H18N4O5S — CID 120684796

IUPAC5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cn1
InChIInChI=1S/C17H18N4O5S/c22-16(14-10-19-15(11-18-14)17(23)24)20-6-8-21(9-7-20)27(25,26)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,23,24)
InChIKeyDISRJHMRPDAREQ-UHFFFAOYSA-N
MW390.42 g/mol
LogP0.46
Rot. Bonds5

About 5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid

5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid (PubChem CID 120684796) has the molecular formula C17H18N4O5S and a molecular weight of 390.42 g/mol. Its IUPAC name is 5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid
PubChem CID120684796
Molecular FormulaC17H18N4O5S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC Name5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cn1
InChIInChI=1S/C17H18N4O5S/c22-16(14-10-19-15(11-18-14)17(23)24)20-6-8-21(9-7-20)27(25,26)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,23,24)
InChIKeyDISRJHMRPDAREQ-UHFFFAOYSA-N
XLogP0.46
TPSA120.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid 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

3-(4-benzylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 9070811
(4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 51151956
(4-benzylsulfonylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 9226953
[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 110805305
(4-benzylsulfonylpiperazin-1-yl)-(4,5-dichloro-6-methyl-3-pyridinyl)methanone
CID 71914403
(2-aminophenyl)-(4-benzylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 119943877
(4-benzylsulfonyl-1,4-diazepan-1-yl)-pyridin-3-ylmethanone
CID 110798876
(4-benzylsulfonylpiperazin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844842
(4-benzylsulfonylpiperazin-1-yl)-(1-methylpyrrol-3-yl)methanone
CID 110805281
3-(4-benzylsulfonylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 9299103
(4-benzylsulfonylpiperazin-1-yl)-[(1S)-2,2-dichloro-1-methylcyclopropyl]methanone
CID 32647739
(4-benzylsulfonylpiperazin-1-yl)-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 27757367

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid (CID 120684796) is 5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cn1.
What is the InChIKey of 5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid?
The InChIKey is DISRJHMRPDAREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5S/c22-16(14-10-19-15(11-18-14)17(23)24)20-6-8-21(9-7-20)27(25,26)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,23,24).
What are the key properties of 5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid?
5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid has a molecular weight of 390.42 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 120684796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).