2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid

C12H11ClN2O5S — CID 70384495

IUPAC2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid
SMILESNc1ccc(S(=O)(=O)NCc2cc(Cl)co2)cc1C(=O)O
InChIInChI=1S/C12H11ClN2O5S/c13-7-3-8(20-6-7)5-15-21(18,19)9-1-2-11(14)10(4-9)12(16)17/h1-4,6,15H,5,14H2,(H,16,17)
InChIKeyJXXWKKKHJSABNT-UHFFFAOYSA-N
MW330.75 g/mol
LogP1.69
Rot. Bonds5

About 2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid

2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid (PubChem CID 70384495) has the molecular formula C12H11ClN2O5S and a molecular weight of 330.75 g/mol. Its IUPAC name is 2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid
PubChem CID70384495
Molecular FormulaC12H11ClN2O5S
Molecular Weight330.75 g/mol
Exact Mass330.01
IUPAC Name2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid
SMILESNc1ccc(S(=O)(=O)NCc2cc(Cl)co2)cc1C(=O)O
InChIInChI=1S/C12H11ClN2O5S/c13-7-3-8(20-6-7)5-15-21(18,19)9-1-2-11(14)10(4-9)12(16)17/h1-4,6,15H,5,14H2,(H,16,17)
InChIKeyJXXWKKKHJSABNT-UHFFFAOYSA-N
XLogP1.69
TPSA122.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]benzenesulfonamide
CID 160722237
(4-chlorofuran-2-yl)methylcarbamic acid
CID 66605978
5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 79993357
2-amino-5-(ethylsulfamoyl)benzamide
CID 82478029
2-chloro-5-(2-methylsulfonylethylsulfamoyl)benzoic acid
CID 60920912
2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214152
5-[(5-bromothiophen-2-yl)methylsulfamoyl]-2-fluorobenzoic acid
CID 60745473
2-chloro-5-(3-cyanopropylsulfamoyl)benzoic acid
CID 62667748
2-amino-5-ethylsulfonylbenzoic acid
CID 141345275
2-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoic acid
CID 61014864
4-(benzylsulfamoyl)-2-carboxyphenolate
CID 54712789
2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid
CID 45411146

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid?
The IUPAC name of 2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid (CID 70384495) is 2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid is Nc1ccc(S(=O)(=O)NCc2cc(Cl)co2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid?
The InChIKey is JXXWKKKHJSABNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O5S/c13-7-3-8(20-6-7)5-15-21(18,19)9-1-2-11(14)10(4-9)12(16)17/h1-4,6,15H,5,14H2,(H,16,17).
What are the key properties of 2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid?
2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid has a molecular weight of 330.75 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 70384495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).