4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid

C11H14N2O5S — CID 102931714

IUPAC4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid
SMILESNc1ccc(C(=O)O)c(S(=O)(=O)NC2(CO)CC2)c1
InChIInChI=1S/C11H14N2O5S/c12-7-1-2-8(10(15)16)9(5-7)19(17,18)13-11(6-14)3-4-11/h1-2,5,13-14H,3-4,6,12H2,(H,15,16)
InChIKeyJVOQTHOXZJLZLQ-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.23
Rot. Bonds5

About 4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid

4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid (PubChem CID 102931714) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid
PubChem CID102931714
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid
SMILESNc1ccc(C(=O)O)c(S(=O)(=O)NC2(CO)CC2)c1
InChIInChI=1S/C11H14N2O5S/c12-7-1-2-8(10(15)16)9(5-7)19(17,18)13-11(6-14)3-4-11/h1-2,5,13-14H,3-4,6,12H2,(H,15,16)
InChIKeyJVOQTHOXZJLZLQ-UHFFFAOYSA-N
XLogP-0.23
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.23
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-2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106208573
4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 102931325
4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid
CID 102930936
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide
CID 62526556
4-amino-2-(phenylsulfamoyl)benzoic acid
CID 102930725
4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid
CID 102930934
4-amino-2-[(4-iodophenyl)sulfamoyl]benzoic acid
CID 102930866
4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930917
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 106358785
4-amino-2-(3-sulfamoylpropylsulfamoyl)benzoic acid
CID 102931171
2-chloro-5-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 62518568
4-amino-2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzoic acid
CID 106348020

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid (CID 102931714) is 4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid is Nc1ccc(C(=O)O)c(S(=O)(=O)NC2(CO)CC2)c1.
What is the InChIKey of 4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid?
The InChIKey is JVOQTHOXZJLZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c12-7-1-2-8(10(15)16)9(5-7)19(17,18)13-11(6-14)3-4-11/h1-2,5,13-14H,3-4,6,12H2,(H,15,16).
What are the key properties of 4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid?
4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid has a molecular weight of 286.31 g/mol, XLogP of -0.23, 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-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 102931714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).