5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid

C12H9Cl2NO5S — CID 79993357

IUPAC5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C12H9Cl2NO5S/c13-9-3-2-8(5-10(9)14)21(18,19)15-6-7-1-4-11(20-7)12(16)17/h1-5,15H,6H2,(H,16,17)
InChIKeyRFLJZCWOBPFQGJ-UHFFFAOYSA-N
MW350.18 g/mol
LogP2.76
Rot. Bonds5

About 5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid

5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid (PubChem CID 79993357) has the molecular formula C12H9Cl2NO5S and a molecular weight of 350.18 g/mol. Its IUPAC name is 5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid
PubChem CID79993357
Molecular FormulaC12H9Cl2NO5S
Molecular Weight350.18 g/mol
Exact Mass348.96
IUPAC Name5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C12H9Cl2NO5S/c13-9-3-2-8(5-10(9)14)21(18,19)15-6-7-1-4-11(20-7)12(16)17/h1-5,15H,6H2,(H,16,17)
InChIKeyRFLJZCWOBPFQGJ-UHFFFAOYSA-N
XLogP2.76
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 2805810
5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 104709706
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
CID 61018710
5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid
CID 82839821
3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 110714870
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide
CID 65032700
2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid
CID 70384495
5-[[2-chloro-5-(trifluoromethyl)anilino]methyl]furan-2-carboxylic acid
CID 63316809
5-[(3,4-dichlorophenyl)methylsulfonyl]furan-2-carboxylic acid
CID 63943575

Frequently Asked Questions

What is the IUPAC name of 5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid (CID 79993357) is 5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid?
The InChIKey is RFLJZCWOBPFQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO5S/c13-9-3-2-8(5-10(9)14)21(18,19)15-6-7-1-4-11(20-7)12(16)17/h1-5,15H,6H2,(H,16,17).
What are the key properties of 5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid?
5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid has a molecular weight of 350.18 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 79993357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).