[(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate

C19H19BrClNO5S — CID 25331653

IUPAC[(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate
SMILESCc1ccc(Br)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC[C@H]3CCCO3)c2)c1
InChIInChI=1S/C19H19BrClNO5S/c1-12-4-6-16(20)18(9-12)22-28(24,25)14-5-7-17(21)15(10-14)19(23)27-11-13-3-2-8-26-13/h4-7,9-10,13,22H,2-3,8,11H2,1H3/t13-/m1/s1
InChIKeyFDVBHRJHVNYTJH-CYBMUJFWSA-N
MW488.79 g/mol
LogP4.55
Rot. Bonds6

About [(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate

[(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate (PubChem CID 25331653) has the molecular formula C19H19BrClNO5S and a molecular weight of 488.79 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate
PubChem CID25331653
Molecular FormulaC19H19BrClNO5S
Molecular Weight488.79 g/mol
Exact Mass486.99
IUPAC Name[(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate
SMILESCc1ccc(Br)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC[C@H]3CCCO3)c2)c1
InChIInChI=1S/C19H19BrClNO5S/c1-12-4-6-16(20)18(9-12)22-28(24,25)14-5-7-17(21)15(10-14)19(23)27-11-13-3-2-8-26-13/h4-7,9-10,13,22H,2-3,8,11H2,1H3/t13-/m1/s1
InChIKeyFDVBHRJHVNYTJH-CYBMUJFWSA-N
XLogP4.55
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.79
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate
CID 98393705
5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chloro-N-prop-2-ynylbenzamide
CID 30601811
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-chloro-5-[(4-iodophenyl)sulfamoyl]benzoate
CID 25042472
oxolan-2-ylmethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 42915424
2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 56503413
[(2S)-oxolan-2-yl]methyl 4-chloro-3-sulfamoylbenzoate
CID 39902965
benzyl 4-[5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoyl]-2,6-dimethylpiperazine-1-carboxylate
CID 166354431
[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
CID 2375210
oxolan-2-ylmethyl 3-chloro-4-methyl-5-sulfamoylbenzoate
CID 65379651
benzyl N-[1-[5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 166354556
5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2083754
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate (CID 25331653) is [(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate is Cc1ccc(Br)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC[C@H]3CCCO3)c2)c1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate?
The InChIKey is FDVBHRJHVNYTJH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19BrClNO5S/c1-12-4-6-16(20)18(9-12)22-28(24,25)14-5-7-17(21)15(10-14)19(23)27-11-13-3-2-8-26-13/h4-7,9-10,13,22H,2-3,8,11H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate?
[(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate has a molecular weight of 488.79 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl 5-[(2-bromo-5-methylphenyl)sulfamoyl]-2-chlorobenzoate is sourced from PubChem (CID 25331653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).