5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate

C17H13ClNO5S- — CID 4319489

IUPAC5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)[O-])oc2ccc(S(=O)(=O)NCc3ccccc3Cl)cc12
InChIInChI=1S/C17H14ClNO5S/c1-10-13-8-12(6-7-15(13)24-16(10)17(20)21)25(22,23)19-9-11-4-2-3-5-14(11)18/h2-8,19H,9H2,1H3,(H,20,21)/p-1
InChIKeyJRYCOSQWDCFEEW-UHFFFAOYSA-M
MW378.81 g/mol
LogP2.24
Rot. Bonds5

About 5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate

5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 4319489) has the molecular formula C17H13ClNO5S- and a molecular weight of 378.81 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
PubChem CID4319489
Molecular FormulaC17H13ClNO5S-
Molecular Weight378.81 g/mol
Exact Mass378.02
IUPAC Name5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)[O-])oc2ccc(S(=O)(=O)NCc3ccccc3Cl)cc12
InChIInChI=1S/C17H14ClNO5S/c1-10-13-8-12(6-7-15(13)24-16(10)17(20)21)25(22,23)19-9-11-4-2-3-5-14(11)18/h2-8,19H,9H2,1H3,(H,20,21)/p-1
InChIKeyJRYCOSQWDCFEEW-UHFFFAOYSA-M
XLogP2.24
TPSA99.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760517
N-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide
CID 22422461
N-[2-chloro-4-[(2-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25037659
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
5-[2-(4-iodophenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307649
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 29297863
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 37477890
ethyl 5-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 169244664

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of 5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate (CID 4319489) is 5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for 5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for 5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)[O-])oc2ccc(S(=O)(=O)NCc3ccccc3Cl)cc12.
What is the InChIKey of 5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is JRYCOSQWDCFEEW-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14ClNO5S/c1-10-13-8-12(6-7-15(13)24-16(10)17(20)21)25(22,23)19-9-11-4-2-3-5-14(11)18/h2-8,19H,9H2,1H3,(H,20,21)/p-1.
What are the key properties of 5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate?
5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 378.81 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 4319489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).