4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid

C13H18N2O5S — CID 102931325

IUPAC4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
SMILESNc1ccc(C(=O)O)c(S(=O)(=O)NCC2(O)CCCC2)c1
InChIInChI=1S/C13H18N2O5S/c14-9-3-4-10(12(16)17)11(7-9)21(19,20)15-8-13(18)5-1-2-6-13/h3-4,7,15,18H,1-2,5-6,8,14H2,(H,16,17)
InChIKeyDBDXBYKNCRIJCN-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.55
Rot. Bonds5

About 4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid

4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid (PubChem CID 102931325) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
PubChem CID102931325
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
SMILESNc1ccc(C(=O)O)c(S(=O)(=O)NCC2(O)CCCC2)c1
InChIInChI=1S/C13H18N2O5S/c14-9-3-4-10(12(16)17)11(7-9)21(19,20)15-8-13(18)5-1-2-6-13/h3-4,7,15,18H,1-2,5-6,8,14H2,(H,16,17)
InChIKeyDBDXBYKNCRIJCN-UHFFFAOYSA-N
XLogP0.55
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 65102885
3-amino-4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 81457711
4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 102931714
4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 65105759
4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930917
4-amino-2-(3-sulfamoylpropylsulfamoyl)benzoic acid
CID 102931171
5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid
CID 65105358
4-amino-2-(phenylsulfamoyl)benzoic acid
CID 102930725
3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 113498452
4-amino-2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106208573
4-amino-2-[2-(dimethylamino)propylsulfamoyl]benzoic acid
CID 102931085
5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115078

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid?
The IUPAC name of 4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid (CID 102931325) is 4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid is Nc1ccc(C(=O)O)c(S(=O)(=O)NCC2(O)CCCC2)c1.
What is the InChIKey of 4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid?
The InChIKey is DBDXBYKNCRIJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c14-9-3-4-10(12(16)17)11(7-9)21(19,20)15-8-13(18)5-1-2-6-13/h3-4,7,15,18H,1-2,5-6,8,14H2,(H,16,17).
What are the key properties of 4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid?
4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid has a molecular weight of 314.36 g/mol, XLogP of 0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 102931325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).