N-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

C15H18N4O4S — CID 113157359

IUPACN-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C15H18N4O4S/c1-24(22,23)19(14-4-2-13(10-16)3-5-14)11-15(21)18-8-6-17(12-20)7-9-18/h2-5,12H,6-9,11H2,1H3
InChIKeyQBXOQSNOQLKUNU-UHFFFAOYSA-N
MW350.40 g/mol
LogP-0.38
Rot. Bonds5

About N-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

N-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 113157359) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID113157359
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC NameN-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C15H18N4O4S/c1-24(22,23)19(14-4-2-13(10-16)3-5-14)11-15(21)18-8-6-17(12-20)7-9-18/h2-5,12H,6-9,11H2,1H3
InChIKeyQBXOQSNOQLKUNU-UHFFFAOYSA-N
XLogP-0.38
TPSA101.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide
CID 30272318
N-(3,4-difluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113157684
N-(4-cyanophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]methanesulfonamide
CID 113157389
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)methanesulfonamide
CID 2207186
N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 31256314
N-[4-(diethylamino)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113156219
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[4-(diethylamino)phenyl]methanesulfonamide
CID 113156241
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide
CID 113155268
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 113157747
N-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 1097974
N-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide
CID 113157289
4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 55025728

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (CID 113157359) is N-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is QBXOQSNOQLKUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-24(22,23)19(14-4-2-13(10-16)3-5-14)11-15(21)18-8-6-17(12-20)7-9-18/h2-5,12H,6-9,11H2,1H3.
What are the key properties of N-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
N-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 350.40 g/mol, XLogP of -0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 113157359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).