N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide

C14H17Cl2N3O4S — CID 112991971

IUPACN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H17Cl2N3O4S/c1-10(20)18-4-6-19(7-5-18)14(21)9-17-24(22,23)11-2-3-12(15)13(16)8-11/h2-3,8,17H,4-7,9H2,1H3
InChIKeyXOOSFJVJLKYWJY-UHFFFAOYSA-N
MW394.28 g/mol
LogP0.96
Rot. Bonds4

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide (PubChem CID 112991971) has the molecular formula C14H17Cl2N3O4S and a molecular weight of 394.28 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide
PubChem CID112991971
Molecular FormulaC14H17Cl2N3O4S
Molecular Weight394.28 g/mol
Exact Mass393.03
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H17Cl2N3O4S/c1-10(20)18-4-6-19(7-5-18)14(21)9-17-24(22,23)11-2-3-12(15)13(16)8-11/h2-3,8,17H,4-7,9H2,1H3
InChIKeyXOOSFJVJLKYWJY-UHFFFAOYSA-N
XLogP0.96
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60894571
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112991969
2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
CID 110712522
1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 112763003
2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide
CID 113405985
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110429173
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide
CID 112991968
3-chloro-4-fluoro-N-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 90590085
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869
3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712399

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide (CID 112991971) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide is CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide?
The InChIKey is XOOSFJVJLKYWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O4S/c1-10(20)18-4-6-19(7-5-18)14(21)9-17-24(22,23)11-2-3-12(15)13(16)8-11/h2-3,8,17H,4-7,9H2,1H3.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide?
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide has a molecular weight of 394.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 112991971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).