5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid

C18H14ClNO5S — CID 91688117

IUPAC5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2Cl)cc1
InChIInChI=1S/C18H14ClNO5S/c1-11-2-5-13(6-3-11)26(23,24)20-15-10-12(4-7-14(15)19)16-8-9-17(25-16)18(21)22/h2-10,20H,1H3,(H,21,22)
InChIKeyGWCQTLHKMIJETH-UHFFFAOYSA-N
MW391.83 g/mol
LogP4.41
Rot. Bonds5

About 5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid

5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid (PubChem CID 91688117) has the molecular formula C18H14ClNO5S and a molecular weight of 391.83 g/mol. Its IUPAC name is 5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
PubChem CID91688117
Molecular FormulaC18H14ClNO5S
Molecular Weight391.83 g/mol
Exact Mass391.03
IUPAC Name5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2Cl)cc1
InChIInChI=1S/C18H14ClNO5S/c1-11-2-5-13(6-3-11)26(23,24)20-15-10-12(4-7-14(15)19)16-8-9-17(25-16)18(21)22/h2-10,20H,1H3,(H,21,22)
InChIKeyGWCQTLHKMIJETH-UHFFFAOYSA-N
XLogP4.41
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid
CID 91679907
5-[3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
CID 91688110
5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688518
5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid
CID 91688170
5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91687991
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169373284
5-[3-[(4-tert-butylbenzoyl)amino]-4-chlorophenyl]furan-2-carboxylic acid
CID 91688516
[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]boronic acid
CID 169370367
5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688511
3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid
CID 103768285
4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169370448

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid (CID 91688117) is 5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid is Cc1ccc(S(=O)(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2Cl)cc1.
What is the InChIKey of 5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid?
The InChIKey is GWCQTLHKMIJETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO5S/c1-11-2-5-13(6-3-11)26(23,24)20-15-10-12(4-7-14(15)19)16-8-9-17(25-16)18(21)22/h2-10,20H,1H3,(H,21,22).
What are the key properties of 5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid?
5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid has a molecular weight of 391.83 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 91688117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).