N-[3-(benzenesulfonyl)-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide

C24H22NO8PS2 — CID 3502783

IUPACN-[3-(benzenesulfonyl)-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide
SMILESCOP(=O)(OC)C1(NS(=O)(=O)c2ccccc2)C=C(S(=O)(=O)c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C24H22NO8PS2/c1-32-34(27,33-2)24(25-36(30,31)19-13-7-4-8-14-19)17-22(23(26)20-15-9-10-16-21(20)24)35(28,29)18-11-5-3-6-12-18/h3-17,25H,1-2H3
InChIKeyAUZMZBXCWXNYJT-UHFFFAOYSA-N
MW547.55 g/mol
LogP3.86
Rot. Bonds8

About N-[3-(benzenesulfonyl)-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide

N-[3-(benzenesulfonyl)-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide (PubChem CID 3502783) has the molecular formula C24H22NO8PS2 and a molecular weight of 547.55 g/mol. Its IUPAC name is N-[3-(benzenesulfonyl)-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonyl)-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide
PubChem CID3502783
Molecular FormulaC24H22NO8PS2
Molecular Weight547.55 g/mol
Exact Mass547.05
IUPAC NameN-[3-(benzenesulfonyl)-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide
SMILESCOP(=O)(OC)C1(NS(=O)(=O)c2ccccc2)C=C(S(=O)(=O)c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C24H22NO8PS2/c1-32-34(27,33-2)24(25-36(30,31)19-13-7-4-8-14-19)17-22(23(26)20-15-9-10-16-21(20)24)35(28,29)18-11-5-3-6-12-18/h3-17,25H,1-2H3
InChIKeyAUZMZBXCWXNYJT-UHFFFAOYSA-N
XLogP3.86
TPSA132.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.55
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[1-dipentoxyphosphoryl-3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-yl]benzenesulfonamide
CID 3511080
N-[1-diethoxyphosphoryl-3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-yl]-4-methoxybenzenesulfonamide
CID 3529077
N-[3-(benzenesulfonyl)-1-dibutoxyphosphoryl-4-oxonaphthalen-1-yl]methanesulfonamide
CID 3544340
4-chloro-N-[1-dipentoxyphosphoryl-3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-yl]benzenesulfonamide
CID 3526647
N-(2,3-dichloro-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl)benzenesulfonamide
CID 3401644
4-chloro-N-(3-chloro-1-dipropoxyphosphoryl-4-oxonaphthalen-1-yl)benzenesulfonamide
CID 3523795
N-(3-bromo-1-dipropoxyphosphoryl-4-oxonaphthalen-1-yl)-4-chlorobenzenesulfonamide
CID 3523796
N-[1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-3-chloro-4-oxonaphthalen-1-yl]methanesulfonamide
CID 3544343
4-chloro-N-(2,3-dichloro-1-methoxy-4-oxonaphthalen-1-yl)benzenesulfonamide
CID 3093672
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
methyl N-(benzenesulfonyl)carbamate
CID 676519

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonyl)-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide?
The IUPAC name of N-[3-(benzenesulfonyl)-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide (CID 3502783) is N-[3-(benzenesulfonyl)-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(benzenesulfonyl)-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(benzenesulfonyl)-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide is COP(=O)(OC)C1(NS(=O)(=O)c2ccccc2)C=C(S(=O)(=O)c2ccccc2)C(=O)c2ccccc21.
What is the InChIKey of N-[3-(benzenesulfonyl)-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide?
The InChIKey is AUZMZBXCWXNYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22NO8PS2/c1-32-34(27,33-2)24(25-36(30,31)19-13-7-4-8-14-19)17-22(23(26)20-15-9-10-16-21(20)24)35(28,29)18-11-5-3-6-12-18/h3-17,25H,1-2H3.
What are the key properties of N-[3-(benzenesulfonyl)-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide?
N-[3-(benzenesulfonyl)-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide has a molecular weight of 547.55 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonyl)-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 3502783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).