phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate

C27H23NO5S — CID 2668410

IUPACphenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)Oc2ccccc2)c1
InChIInChI=1S/C27H23NO5S/c1-32-26-18-9-8-17-25(26)28(20-21-11-4-2-5-12-21)34(30,31)24-16-10-13-22(19-24)27(29)33-23-14-6-3-7-15-23/h2-19H,20H2,1H3
InChIKeyGTTCIBVJZGTJLQ-UHFFFAOYSA-N
MW473.55 g/mol
LogP5.31
Rot. Bonds8

About phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate

phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 2668410) has the molecular formula C27H23NO5S and a molecular weight of 473.55 g/mol. Its IUPAC name is phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namephenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate
PubChem CID2668410
Molecular FormulaC27H23NO5S
Molecular Weight473.55 g/mol
Exact Mass473.13
IUPAC Namephenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)Oc2ccccc2)c1
InChIInChI=1S/C27H23NO5S/c1-32-26-18-9-8-17-25(26)28(20-21-11-4-2-5-12-21)34(30,31)24-16-10-13-22(19-24)27(29)33-23-14-6-3-7-15-23/h2-19H,20H2,1H3
InChIKeyGTTCIBVJZGTJLQ-UHFFFAOYSA-N
XLogP5.31
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.55
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide
CID 2469146
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 4832234
naphthalen-1-yl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate
CID 2397579
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-[4-(diethylamino)phenyl]benzamide
CID 2433943
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30160867
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 24982454
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 2079702
4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide
CID 100591343
ethyl 1-[3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-3-carboxylate
CID 24981827
ethyl (3S)-1-[3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-3-carboxylate
CID 93472681
(4-phenylmethoxyphenyl) 3-[methoxy(methyl)sulfamoyl]benzoate
CID 71902045
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224

Frequently Asked Questions

What is the IUPAC name of phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate (CID 2668410) is phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate is COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is GTTCIBVJZGTJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO5S/c1-32-26-18-9-8-17-25(26)28(20-21-11-4-2-5-12-21)34(30,31)24-16-10-13-22(19-24)27(29)33-23-14-6-3-7-15-23/h2-19H,20H2,1H3.
What are the key properties of phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate?
phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 473.55 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2668410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).