2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate

C15H12Cl2NO5S- — CID 2119292

IUPAC2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate
SMILESCOc1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO5S/c1-23-10-4-2-9(3-5-10)8-18-24(21,22)14-6-11(15(19)20)12(16)7-13(14)17/h2-7,18H,8H2,1H3,(H,19,20)/p-1
InChIKeyABSCWQLZMNGFSG-UHFFFAOYSA-M
MW389.24 g/mol
LogP1.84
Rot. Bonds6

About 2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate

2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate (PubChem CID 2119292) has the molecular formula C15H12Cl2NO5S- and a molecular weight of 389.24 g/mol. Its IUPAC name is 2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate.

Molecular Properties

Compound Name2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate
PubChem CID2119292
Molecular FormulaC15H12Cl2NO5S-
Molecular Weight389.24 g/mol
Exact Mass387.98
IUPAC Name2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate
SMILESCOc1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO5S/c1-23-10-4-2-9(3-5-10)8-18-24(21,22)14-6-11(15(19)20)12(16)7-13(14)17/h2-7,18H,8H2,1H3,(H,19,20)/p-1
InChIKeyABSCWQLZMNGFSG-UHFFFAOYSA-M
XLogP1.84
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid
CID 155452009
4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948090
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 110758794
2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 992252
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide
CID 32681146
2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate
CID 2368816
N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 24553911
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate?
The IUPAC name of 2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate (CID 2119292) is 2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate.
What is the SMILES notation for 2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate?
The canonical SMILES for 2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate is COc1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate?
The InChIKey is ABSCWQLZMNGFSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13Cl2NO5S/c1-23-10-4-2-9(3-5-10)8-18-24(21,22)14-6-11(15(19)20)12(16)7-13(14)17/h2-7,18H,8H2,1H3,(H,19,20)/p-1.
What are the key properties of 2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate?
2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate has a molecular weight of 389.24 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate is sourced from PubChem (CID 2119292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).