5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid

C12H10ClNO5S — CID 43361993

IUPAC5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2cccc(Cl)c2)o1
InChIInChI=1S/C12H10ClNO5S/c13-9-3-1-2-8(6-9)7-14-20(17,18)11-5-4-10(19-11)12(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyHIWWGTAUVANFSU-UHFFFAOYSA-N
MW315.73 g/mol
LogP2.11
Rot. Bonds5

About 5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid

5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid (PubChem CID 43361993) has the molecular formula C12H10ClNO5S and a molecular weight of 315.73 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid
PubChem CID43361993
Molecular FormulaC12H10ClNO5S
Molecular Weight315.73 g/mol
Exact Mass315.00
IUPAC Name5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2cccc(Cl)c2)o1
InChIInChI=1S/C12H10ClNO5S/c13-9-3-1-2-8(6-9)7-14-20(17,18)11-5-4-10(19-11)12(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyHIWWGTAUVANFSU-UHFFFAOYSA-N
XLogP2.11
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62539404
5-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61026620
4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073401
5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 62313553
5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 61298881
4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328289
5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid
CID 29077583
5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 29077465
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide
CID 79579372
2-amino-5-chloro-N-[(3-chlorophenyl)methyl]benzenesulfonamide
CID 61108918

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid (CID 43361993) is 5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCc2cccc(Cl)c2)o1.
What is the InChIKey of 5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is HIWWGTAUVANFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO5S/c13-9-3-1-2-8(6-9)7-14-20(17,18)11-5-4-10(19-11)12(15)16/h1-6,14H,7H2,(H,15,16).
What are the key properties of 5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid?
5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 315.73 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43361993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).