potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;chloride

C12H11Cl2KN2O5S — CID 23677938

IUPACpotassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;chloride
SMILESNS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl.[Cl-].[K+]
InChIInChI=1S/C12H11ClN2O5S.ClH.K/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;;/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);1H;/q;;+1/p-1
InChIKeyOBQXJHXAVCXBHK-UHFFFAOYSA-M
MW405.30 g/mol
LogP-4.10
Rot. Bonds5

About potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;chloride

potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;chloride (PubChem CID 23677938) has the molecular formula C12H11Cl2KN2O5S and a molecular weight of 405.30 g/mol. Its IUPAC name is potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;chloride.

Molecular Properties

Compound Namepotassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;chloride
PubChem CID23677938
Molecular FormulaC12H11Cl2KN2O5S
Molecular Weight405.30 g/mol
Exact Mass403.94
IUPAC Namepotassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;chloride
SMILESNS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl.[Cl-].[K+]
InChIInChI=1S/C12H11ClN2O5S.ClH.K/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;;/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);1H;/q;;+1/p-1
InChIKeyOBQXJHXAVCXBHK-UHFFFAOYSA-M
XLogP-4.10
TPSA122.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 5-4.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;chloride?
The IUPAC name of potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;chloride (CID 23677938) is potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;chloride.
What is the SMILES notation for potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;chloride?
The canonical SMILES for potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;chloride is NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl.[Cl-].[K+].
What is the InChIKey of potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;chloride?
The InChIKey is OBQXJHXAVCXBHK-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11ClN2O5S.ClH.K/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;;/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);1H;/q;;+1/p-1.
What are the key properties of potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;chloride?
potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;chloride has a molecular weight of 405.30 g/mol, XLogP of -4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;chloride is sourced from PubChem (CID 23677938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).