3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide

C23H23ClN2O4S2 — CID 55408146

IUPAC3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCSc2ccccc2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O4S2/c1-30-21-12-9-18(23(27)25-13-14-31-20-5-3-2-4-6-20)15-22(21)32(28,29)26-16-17-7-10-19(24)11-8-17/h2-12,15,26H,13-14,16H2,1H3,(H,25,27)
InChIKeyOZBYPBMEUNANCA-UHFFFAOYSA-N
MW491.03 g/mol
LogP4.35
Rot. Bonds10

About 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide

3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 55408146) has the molecular formula C23H23ClN2O4S2 and a molecular weight of 491.03 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
PubChem CID55408146
Molecular FormulaC23H23ClN2O4S2
Molecular Weight491.03 g/mol
Exact Mass490.08
IUPAC Name3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCSc2ccccc2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O4S2/c1-30-21-12-9-18(23(27)25-13-14-31-20-5-3-2-4-6-20)15-22(21)32(28,29)26-16-17-7-10-19(24)11-8-17/h2-12,15,26H,13-14,16H2,1H3,(H,25,27)
InChIKeyOZBYPBMEUNANCA-UHFFFAOYSA-N
XLogP4.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.03
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 55954991
N-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55348399
3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 55869321
3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 9483134
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide
CID 32686463
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
CID 24549447
3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 55585722

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide (CID 55408146) is 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide is COc1ccc(C(=O)NCCSc2ccccc2)cc1S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is OZBYPBMEUNANCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S2/c1-30-21-12-9-18(23(27)25-13-14-31-20-5-3-2-4-6-20)15-22(21)32(28,29)26-16-17-7-10-19(24)11-8-17/h2-12,15,26H,13-14,16H2,1H3,(H,25,27).
What are the key properties of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide?
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 491.03 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 55408146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).