2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide

C10H13ClN2O4S — CID 106501692

IUPAC2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
SMILESNS(=O)(=O)CCCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C10H13ClN2O4S/c11-9-3-2-7(14)6-8(9)10(15)13-4-1-5-18(12,16)17/h2-3,6,14H,1,4-5H2,(H,13,15)(H2,12,16,17)
InChIKeyTYYHEJMDFLCFNF-UHFFFAOYSA-N
MW292.74 g/mol
LogP0.45
Rot. Bonds5

About 2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide

2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide (PubChem CID 106501692) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
PubChem CID106501692
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Name2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
SMILESNS(=O)(=O)CCCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C10H13ClN2O4S/c11-9-3-2-7(14)6-8(9)10(15)13-4-1-5-18(12,16)17/h2-3,6,14H,1,4-5H2,(H,13,15)(H2,12,16,17)
InChIKeyTYYHEJMDFLCFNF-UHFFFAOYSA-N
XLogP0.45
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide
CID 106741452
4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide
CID 47337136
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908
N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide
CID 114146404
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-5-hydroxybenzamide
CID 106339733
5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide
CID 107184918
2-chloro-N-hex-5-ynyl-5-hydroxybenzamide
CID 106209889
2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide
CID 106501017
N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
CID 106502163
2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
CID 106501748
2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 106502576
N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500100

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide (CID 106501692) is 2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide is NS(=O)(=O)CCCNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide?
The InChIKey is TYYHEJMDFLCFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c11-9-3-2-7(14)6-8(9)10(15)13-4-1-5-18(12,16)17/h2-3,6,14H,1,4-5H2,(H,13,15)(H2,12,16,17).
What are the key properties of 2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide?
2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide has a molecular weight of 292.74 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide is sourced from PubChem (CID 106501692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).