N-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide

C22H14ClNO4S — CID 90656647

IUPACN-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide
SMILESO=C1C(NS(=O)(=O)c2ccccc2)=C(c2cccc(Cl)c2)C(=O)c2ccccc21
InChIInChI=1S/C22H14ClNO4S/c23-15-8-6-7-14(13-15)19-20(24-29(27,28)16-9-2-1-3-10-16)22(26)18-12-5-4-11-17(18)21(19)25/h1-13,24H
InChIKeyNRHACZGPXZPONW-UHFFFAOYSA-N
MW423.88 g/mol
LogP4.11
Rot. Bonds4

About N-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide

N-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide (PubChem CID 90656647) has the molecular formula C22H14ClNO4S and a molecular weight of 423.88 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide
PubChem CID90656647
Molecular FormulaC22H14ClNO4S
Molecular Weight423.88 g/mol
Exact Mass423.03
IUPAC NameN-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide
SMILESO=C1C(NS(=O)(=O)c2ccccc2)=C(c2cccc(Cl)c2)C(=O)c2ccccc21
InChIInChI=1S/C22H14ClNO4S/c23-15-8-6-7-14(13-15)19-20(24-29(27,28)16-9-2-1-3-10-16)22(26)18-12-5-4-11-17(18)21(19)25/h1-13,24H
InChIKeyNRHACZGPXZPONW-UHFFFAOYSA-N
XLogP4.11
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze N-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide 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

N-(1,4-dioxo-1,4-dihydronaphthalen-2-yl)benzenesulfonamide
CID 247700
4-chloro-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide
CID 3422200
4-chloro-N-[3-(3-methyl-1-piperidinyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide
CID 3807453
(3Z)-3-(3-chlorobenzylidene)-2,3-dihydro-4H-1,2-benzothiazin-4-one 1,1-dioxide
CID 16418617
N-[3-(4-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide
CID 52933814
N-[3-(3-formylphenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide
CID 52934278
N-[3-(2-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide
CID 90656646
N-[3-(4-formylphenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide
CID 90656648
4-chloro-N-(3-(4-methylpiperidin-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl)benzenesulfonamide
CID 3635156
N-(1,4-dioxo-3-phenylnaphthalen-2-yl)benzenesulfonamide
CID 56973485
N-(3-amino-1,4-dioxonaphthalen-2-yl)benzenesulfonamide
CID 56973487
N-[2-(3-chlorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide
CID 177371935

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide (CID 90656647) is N-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide is O=C1C(NS(=O)(=O)c2ccccc2)=C(c2cccc(Cl)c2)C(=O)c2ccccc21.
What is the InChIKey of N-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide?
The InChIKey is NRHACZGPXZPONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO4S/c23-15-8-6-7-14(13-15)19-20(24-29(27,28)16-9-2-1-3-10-16)22(26)18-12-5-4-11-17(18)21(19)25/h1-13,24H.
What are the key properties of N-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide?
N-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide has a molecular weight of 423.88 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide is sourced from PubChem (CID 90656647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).