N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide

C16H16ClN3O3S — CID 55664182

IUPACN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide
SMILESO=C1CN(c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)CCN1
InChIInChI=1S/C16H16ClN3O3S/c17-14-10-12(19-24(22,23)13-4-2-1-3-5-13)6-7-15(14)20-9-8-18-16(21)11-20/h1-7,10,19H,8-9,11H2,(H,18,21)
InChIKeyRYMKUFTWGVPJSJ-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.08
Rot. Bonds4

About N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide

N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide (PubChem CID 55664182) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide
PubChem CID55664182
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC NameN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide
SMILESO=C1CN(c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)CCN1
InChIInChI=1S/C16H16ClN3O3S/c17-14-10-12(19-24(22,23)13-4-2-1-3-5-13)6-7-15(14)20-9-8-18-16(21)11-20/h1-7,10,19H,8-9,11H2,(H,18,21)
InChIKeyRYMKUFTWGVPJSJ-UHFFFAOYSA-N
XLogP2.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-sulfonamide
CID 55662919
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide
CID 47029422
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55661860
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46468044
2-benzoyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 60510122
(E)-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-(2,6-dichlorophenyl)prop-2-enamide
CID 55663147
4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46467877
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2,6-difluorobenzamide
CID 154774030
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56540897
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide
CID 46435266
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55710749
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55763362

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide (CID 55664182) is N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide is O=C1CN(c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)CCN1.
What is the InChIKey of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is RYMKUFTWGVPJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c17-14-10-12(19-24(22,23)13-4-2-1-3-5-13)6-7-15(14)20-9-8-18-16(21)11-20/h1-7,10,19H,8-9,11H2,(H,18,21).
What are the key properties of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide?
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 365.84 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 55664182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).