4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid

C12H11ClN2O5S — CID 154138860

IUPAC4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid
SMILESNS(=O)(=O)N(Cc1ccco1)c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H11ClN2O5S/c13-8-3-4-10(12(16)17)11(6-8)15(21(14,18)19)7-9-2-1-5-20-9/h1-6H,7H2,(H,16,17)(H2,14,18,19)
InChIKeyLBCFVKMRWKBYPX-UHFFFAOYSA-N
MW330.75 g/mol
LogP1.84
Rot. Bonds5

About 4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid

4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid (PubChem CID 154138860) has the molecular formula C12H11ClN2O5S and a molecular weight of 330.75 g/mol. Its IUPAC name is 4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid
PubChem CID154138860
Molecular FormulaC12H11ClN2O5S
Molecular Weight330.75 g/mol
Exact Mass330.01
IUPAC Name4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid
SMILESNS(=O)(=O)N(Cc1ccco1)c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H11ClN2O5S/c13-8-3-4-10(12(16)17)11(6-8)15(21(14,18)19)7-9-2-1-5-20-9/h1-6H,7H2,(H,16,17)(H2,14,18,19)
InChIKeyLBCFVKMRWKBYPX-UHFFFAOYSA-N
XLogP1.84
TPSA113.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid
CID 102930942
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513628
4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide
CID 123907571
4-chloro-2-[2-methylpropyl(methylsulfonyl)amino]benzoic acid
CID 22621087
2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid
CID 50894753
2,4-dichloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 55523141
2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 62946093
CID 68522905
CID 68522905
N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide
CID 35182283
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 50894441
5-amino-3-chloro-2-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 107195369

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid (CID 154138860) is 4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid is NS(=O)(=O)N(Cc1ccco1)c1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid?
The InChIKey is LBCFVKMRWKBYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O5S/c13-8-3-4-10(12(16)17)11(6-8)15(21(14,18)19)7-9-2-1-5-20-9/h1-6H,7H2,(H,16,17)(H2,14,18,19).
What are the key properties of 4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid?
4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid has a molecular weight of 330.75 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid is sourced from PubChem (CID 154138860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).