(3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate

C21H17Cl2NO5S — CID 25036938

IUPAC(3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate
SMILESO=C(OCc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O
InChIInChI=1S/C21H17Cl2NO5S/c22-18-8-6-15(10-19(18)23)13-29-21(26)17-11-16(7-9-20(17)25)30(27,28)24-12-14-4-2-1-3-5-14/h1-11,24-25H,12-13H2
InChIKeyAEHDUIIOBRWPMP-UHFFFAOYSA-N
MW466.34 g/mol
LogP4.53
Rot. Bonds7

About (3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate

(3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate (PubChem CID 25036938) has the molecular formula C21H17Cl2NO5S and a molecular weight of 466.34 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate
PubChem CID25036938
Molecular FormulaC21H17Cl2NO5S
Molecular Weight466.34 g/mol
Exact Mass465.02
IUPAC Name(3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate
SMILESO=C(OCc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O
InChIInChI=1S/C21H17Cl2NO5S/c22-18-8-6-15(10-19(18)23)13-29-21(26)17-11-16(7-9-20(17)25)30(27,28)24-12-14-4-2-1-3-5-14/h1-11,24-25H,12-13H2
InChIKeyAEHDUIIOBRWPMP-UHFFFAOYSA-N
XLogP4.53
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(benzylsulfamoyl)-2-hydroxybenzoate
CID 25036126
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
CID 61018710
4-(benzylsulfamoyl)-2-carboxyphenolate
CID 54712789
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 5-(benzylsulfamoyl)-2-hydroxybenzoate
CID 4274502
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 5-(benzylsulfamoyl)-2-hydroxybenzoate
CID 41114621
5-(benzylsulfamoyl)-2-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 112771772
(3,4-dichlorophenyl)methyl 2-iodobenzoate
CID 9291865
(3,4-dichlorophenyl)methyl 2-bromobenzoate
CID 4771233
3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide
CID 65032700
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
[4-(benzenesulfonyl)phenyl]methyl 5-bromo-2-hydroxybenzoate
CID 1307574
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid
CID 7342391

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate?
The IUPAC name of (3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate (CID 25036938) is (3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate is O=C(OCc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O.
What is the InChIKey of (3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate?
The InChIKey is AEHDUIIOBRWPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO5S/c22-18-8-6-15(10-19(18)23)13-29-21(26)17-11-16(7-9-20(17)25)30(27,28)24-12-14-4-2-1-3-5-14/h1-11,24-25H,12-13H2.
What are the key properties of (3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate?
(3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate has a molecular weight of 466.34 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate is sourced from PubChem (CID 25036938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).