4-chloro-5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)benzoic acid

C14H15ClN2O5S — CID 155451975

IUPAC4-chloro-5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)benzoic acid
SMILESCN(C)S(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl
InChIInChI=1S/C14H15ClN2O5S/c1-17(2)23(20,21)13-6-10(14(18)19)12(7-11(13)15)16-8-9-4-3-5-22-9/h3-7,16H,8H2,1-2H3,(H,18,19)
InChIKeyWHRCWHCEMJJBSH-UHFFFAOYSA-N
MW358.80 g/mol
LogP2.49
Rot. Bonds6

About 4-chloro-5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)benzoic acid

4-chloro-5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)benzoic acid (PubChem CID 155451975) has the molecular formula C14H15ClN2O5S and a molecular weight of 358.80 g/mol. Its IUPAC name is 4-chloro-5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name4-chloro-5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)benzoic acid
PubChem CID155451975
Molecular FormulaC14H15ClN2O5S
Molecular Weight358.80 g/mol
Exact Mass358.04
IUPAC Name4-chloro-5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)benzoic acid
SMILESCN(C)S(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl
InChIInChI=1S/C14H15ClN2O5S/c1-17(2)23(20,21)13-6-10(14(18)19)12(7-11(13)15)16-8-9-4-3-5-22-9/h3-7,16H,8H2,1-2H3,(H,18,19)
InChIKeyWHRCWHCEMJJBSH-UHFFFAOYSA-N
XLogP2.49
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)benzoic acid?
The IUPAC name of 4-chloro-5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)benzoic acid (CID 155451975) is 4-chloro-5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)benzoic acid.
What is the SMILES notation for 4-chloro-5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)benzoic acid?
The canonical SMILES for 4-chloro-5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)benzoic acid is CN(C)S(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl.
What is the InChIKey of 4-chloro-5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)benzoic acid?
The InChIKey is WHRCWHCEMJJBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O5S/c1-17(2)23(20,21)13-6-10(14(18)19)12(7-11(13)15)16-8-9-4-3-5-22-9/h3-7,16H,8H2,1-2H3,(H,18,19).
What are the key properties of 4-chloro-5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)benzoic acid?
4-chloro-5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)benzoic acid has a molecular weight of 358.80 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)benzoic acid is sourced from PubChem (CID 155451975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).