N-[2-[5-chloro-2-[(2-methoxyphenyl)-methylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide

C23H25ClNO5PS — CID 90157065

IUPACN-[2-[5-chloro-2-[(2-methoxyphenyl)-methylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1P(C)(=O)Oc1ccc(Cl)cc1CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H25ClNO5PS/c1-17-8-11-20(12-9-17)32(27,28)25-15-14-18-16-19(24)10-13-21(18)30-31(3,26)23-7-5-4-6-22(23)29-2/h4-13,16,25H,14-15H2,1-3H3
InChIKeyWVLNCSJSYGGZCA-UHFFFAOYSA-N
MW493.95 g/mol
LogP4.79
Rot. Bonds9

About N-[2-[5-chloro-2-[(2-methoxyphenyl)-methylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide

N-[2-[5-chloro-2-[(2-methoxyphenyl)-methylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide (PubChem CID 90157065) has the molecular formula C23H25ClNO5PS and a molecular weight of 493.95 g/mol. Its IUPAC name is N-[2-[5-chloro-2-[(2-methoxyphenyl)-methylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[5-chloro-2-[(2-methoxyphenyl)-methylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide
PubChem CID90157065
Molecular FormulaC23H25ClNO5PS
Molecular Weight493.95 g/mol
Exact Mass493.09
IUPAC NameN-[2-[5-chloro-2-[(2-methoxyphenyl)-methylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1P(C)(=O)Oc1ccc(Cl)cc1CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H25ClNO5PS/c1-17-8-11-20(12-9-17)32(27,28)25-15-14-18-16-19(24)10-13-21(18)30-31(3,26)23-7-5-4-6-22(23)29-2/h4-13,16,25H,14-15H2,1-3H3
InChIKeyWVLNCSJSYGGZCA-UHFFFAOYSA-N
XLogP4.79
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.95
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 9182964
N-[(1S)-1-[5-chloro-2-[(2-methoxyphenyl)-phenylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide
CID 90122430
4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 110601508
N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 26539867
N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 110780300
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 108574386
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55907776
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101564
5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide
CID 108572214
4-chloro-N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 22583799
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602596

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-chloro-2-[(2-methoxyphenyl)-methylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[5-chloro-2-[(2-methoxyphenyl)-methylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide (CID 90157065) is N-[2-[5-chloro-2-[(2-methoxyphenyl)-methylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[5-chloro-2-[(2-methoxyphenyl)-methylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[5-chloro-2-[(2-methoxyphenyl)-methylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide is COc1ccccc1P(C)(=O)Oc1ccc(Cl)cc1CCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[5-chloro-2-[(2-methoxyphenyl)-methylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is WVLNCSJSYGGZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClNO5PS/c1-17-8-11-20(12-9-17)32(27,28)25-15-14-18-16-19(24)10-13-21(18)30-31(3,26)23-7-5-4-6-22(23)29-2/h4-13,16,25H,14-15H2,1-3H3.
What are the key properties of N-[2-[5-chloro-2-[(2-methoxyphenyl)-methylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide?
N-[2-[5-chloro-2-[(2-methoxyphenyl)-methylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 493.95 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-chloro-2-[(2-methoxyphenyl)-methylphosphoryl]oxyphenyl]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 90157065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).