5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid

C12H10ClNO5S — CID 66254351

IUPAC5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1cccc(Cl)c1NS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H10ClNO5S/c1-7-3-2-4-8(13)11(7)14-20(17,18)10-6-5-9(19-10)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyVKOKXNQANCQPHX-UHFFFAOYSA-N
MW315.73 g/mol
LogP2.74
Rot. Bonds4

About 5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid

5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 66254351) has the molecular formula C12H10ClNO5S and a molecular weight of 315.73 g/mol. Its IUPAC name is 5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID66254351
Molecular FormulaC12H10ClNO5S
Molecular Weight315.73 g/mol
Exact Mass315.00
IUPAC Name5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1cccc(Cl)c1NS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H10ClNO5S/c1-7-3-2-4-8(13)11(7)14-20(17,18)10-6-5-9(19-10)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyVKOKXNQANCQPHX-UHFFFAOYSA-N
XLogP2.74
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 107624822
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
5-[(2-chloro-6-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66257029
5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid
CID 29077337
5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 29077465
5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 62811091
5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid
CID 115376501
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 66255534
5-(pyridin-2-ylsulfamoyl)furan-2-carboxylic acid
CID 1322341
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 43707205

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid (CID 66254351) is 5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid is Cc1cccc(Cl)c1NS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is VKOKXNQANCQPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO5S/c1-7-3-2-4-8(13)11(7)14-20(17,18)10-6-5-9(19-10)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid?
5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 315.73 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 66254351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).