2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid

C15H16N2O5S — CID 99985163

IUPAC2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccco2)ccc1NC1CC1
InChIInChI=1S/C15H16N2O5S/c18-15(19)13-8-12(5-6-14(13)17-10-3-4-10)23(20,21)16-9-11-2-1-7-22-11/h1-2,5-8,10,16-17H,3-4,9H2,(H,18,19)
InChIKeyQQVHBPSCJATIPB-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.03
Rot. Bonds7

About 2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid

2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid (PubChem CID 99985163) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid
PubChem CID99985163
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccco2)ccc1NC1CC1
InChIInChI=1S/C15H16N2O5S/c18-15(19)13-8-12(5-6-14(13)17-10-3-4-10)23(20,21)16-9-11-2-1-7-22-11/h1-2,5-8,10,16-17H,3-4,9H2,(H,18,19)
InChIKeyQQVHBPSCJATIPB-UHFFFAOYSA-N
XLogP2.03
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid
CID 99984246
2-(furan-2-ylmethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 133144397
2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid
CID 99981604
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24584102
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
methyl 2-bromo-5-(furan-2-ylmethylsulfamoyl)benzoate
CID 51289514
2-chloro-N-(4-chlorophenyl)-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 25036124
2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide
CID 4067948
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
N-(3,4-difluorophenyl)-2-fluoro-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 4115156

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid (CID 99985163) is 2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)NCc2ccco2)ccc1NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid?
The InChIKey is QQVHBPSCJATIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c18-15(19)13-8-12(5-6-14(13)17-10-3-4-10)23(20,21)16-9-11-2-1-7-22-11/h1-2,5-8,10,16-17H,3-4,9H2,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid?
2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid has a molecular weight of 336.37 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 99985163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).