4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide

C22H21ClN2O4S2 — CID 24549447

IUPAC4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSc3ccccc3)ccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O4S2/c1-29-18-10-8-17(9-11-18)25-31(27,28)21-15-16(7-12-20(21)23)22(26)24-13-14-30-19-5-3-2-4-6-19/h2-12,15,25H,13-14H2,1H3,(H,24,26)
InChIKeyQIRUZGZIIXYUPK-UHFFFAOYSA-N
MW477.01 g/mol
LogP4.67
Rot. Bonds9

About 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide

4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 24549447) has the molecular formula C22H21ClN2O4S2 and a molecular weight of 477.01 g/mol. Its IUPAC name is 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
PubChem CID24549447
Molecular FormulaC22H21ClN2O4S2
Molecular Weight477.01 g/mol
Exact Mass476.06
IUPAC Name4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSc3ccccc3)ccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O4S2/c1-29-18-10-8-17(9-11-18)25-31(27,28)21-15-16(7-12-20(21)23)22(26)24-13-14-30-19-5-3-2-4-6-19/h2-12,15,25H,13-14H2,1H3,(H,24,26)
InChIKeyQIRUZGZIIXYUPK-UHFFFAOYSA-N
XLogP4.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.01
LogP ≤ 54.67
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

4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536278
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24547957
4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536359
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 99951817
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 35161549
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide
CID 30858884
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 27228973
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide (CID 24549447) is 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSc3ccccc3)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is QIRUZGZIIXYUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S2/c1-29-18-10-8-17(9-11-18)25-31(27,28)21-15-16(7-12-20(21)23)22(26)24-13-14-30-19-5-3-2-4-6-19/h2-12,15,25H,13-14H2,1H3,(H,24,26).
What are the key properties of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide?
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 477.01 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 24549447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).