5-oxo-5-(4-sulfamoylanilino)pentanoic acid

C11H14N2O5S — CID 733060

IUPAC5-oxo-5-(4-sulfamoylanilino)pentanoic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C11H14N2O5S/c12-19(17,18)9-6-4-8(5-7-9)13-10(14)2-1-3-11(15)16/h4-7H,1-3H2,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKeyLWQOMLSINAECDO-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.53
Rot. Bonds6

About 5-oxo-5-(4-sulfamoylanilino)pentanoic acid

5-oxo-5-(4-sulfamoylanilino)pentanoic acid (PubChem CID 733060) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-oxo-5-(4-sulfamoylanilino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(4-sulfamoylanilino)pentanoic acid
PubChem CID733060
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name5-oxo-5-(4-sulfamoylanilino)pentanoic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C11H14N2O5S/c12-19(17,18)9-6-4-8(5-7-9)13-10(14)2-1-3-11(15)16/h4-7H,1-3H2,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKeyLWQOMLSINAECDO-UHFFFAOYSA-N
XLogP0.53
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-sulfamoylphenyl)propanamide
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N-(4-sulfamoylphenyl)hexanamide
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N-(4-sulfamoylphenyl)butanamide
CID 3510137
1-{[4-(Acetylamino)phenyl]sulfonyl}piperidine-3-carboxylic acid
CID 2770164
Succinylsulfacetamide
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2-(4-Acetamidobenzenesulfonamido)acetic acid
CID 271680
Glutaranilic acid
CID 223386
N-(4-sulfamoylphenyl)pentanamide
CID 4258082
2-(4-Acetylamino-benzenesulfonylamino)-butyric acid
CID 540360

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(4-sulfamoylanilino)pentanoic acid?
The IUPAC name of 5-oxo-5-(4-sulfamoylanilino)pentanoic acid (CID 733060) is 5-oxo-5-(4-sulfamoylanilino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(4-sulfamoylanilino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(4-sulfamoylanilino)pentanoic acid is NS(=O)(=O)c1ccc(NC(=O)CCCC(=O)O)cc1.
What is the InChIKey of 5-oxo-5-(4-sulfamoylanilino)pentanoic acid?
The InChIKey is LWQOMLSINAECDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c12-19(17,18)9-6-4-8(5-7-9)13-10(14)2-1-3-11(15)16/h4-7H,1-3H2,(H,13,14)(H,15,16)(H2,12,17,18).
What are the key properties of 5-oxo-5-(4-sulfamoylanilino)pentanoic acid?
5-oxo-5-(4-sulfamoylanilino)pentanoic acid has a molecular weight of 286.31 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(4-sulfamoylanilino)pentanoic acid is sourced from PubChem (CID 733060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).