5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid

C18H17NO6S — CID 170307561

IUPAC5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1c(C(=O)O)oc2ccc(S(=O)(=O)NC(C)c3cccc(O)c3)cc12
InChIInChI=1S/C18H17NO6S/c1-10-15-9-14(6-7-16(15)25-17(10)18(21)22)26(23,24)19-11(2)12-4-3-5-13(20)8-12/h3-9,11,19-20H,1-2H3,(H,21,22)
InChIKeyORKBINXKNMTTHP-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.18
Rot. Bonds5

About 5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid

5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 170307561) has the molecular formula C18H17NO6S and a molecular weight of 375.40 g/mol. Its IUPAC name is 5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
PubChem CID170307561
Molecular FormulaC18H17NO6S
Molecular Weight375.40 g/mol
Exact Mass375.08
IUPAC Name5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1c(C(=O)O)oc2ccc(S(=O)(=O)NC(C)c3cccc(O)c3)cc12
InChIInChI=1S/C18H17NO6S/c1-10-15-9-14(6-7-16(15)25-17(10)18(21)22)26(23,24)19-11(2)12-4-3-5-13(20)8-12/h3-9,11,19-20H,1-2H3,(H,21,22)
InChIKeyORKBINXKNMTTHP-UHFFFAOYSA-N
XLogP3.18
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307603
ethyl 5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 170307497
5-[1-(4-aminophenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307638
5-[1-(2-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307582
5-chlorosulfonyl-3-methyl-1-benzofuran-2-carboxylic acid
CID 53212392
3-methyl-5-[(3-nitrophenyl)sulfamoyl]-1-benzofuran-2-carboxylic acid
CID 175978275
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 81259142
2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide
CID 61051398
2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid
CID 54947912
5-[2-(3-cyanophenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307499
ethyl 5-[2-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 169244621
N-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide
CID 170307652

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid (CID 170307561) is 5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid is Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NC(C)c3cccc(O)c3)cc12.
What is the InChIKey of 5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is ORKBINXKNMTTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6S/c1-10-15-9-14(6-7-16(15)25-17(10)18(21)22)26(23,24)19-11(2)12-4-3-5-13(20)8-12/h3-9,11,19-20H,1-2H3,(H,21,22).
What are the key properties of 5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid has a molecular weight of 375.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 170307561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).