2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide

C10H12Cl2N2O4S — CID 126508709

IUPAC2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCCO)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O4S/c11-7-5-8(12)9(19(13,17)18)4-6(7)10(16)14-2-1-3-15/h4-5,15H,1-3H2,(H,14,16)(H2,13,17,18)
InChIKeyOZBGWVAREHIEDY-UHFFFAOYSA-N
MW327.19 g/mol
LogP0.75
Rot. Bonds5

About 2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide

2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide (PubChem CID 126508709) has the molecular formula C10H12Cl2N2O4S and a molecular weight of 327.19 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide
PubChem CID126508709
Molecular FormulaC10H12Cl2N2O4S
Molecular Weight327.19 g/mol
Exact Mass325.99
IUPAC Name2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCCO)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O4S/c11-7-5-8(12)9(19(13,17)18)4-6(7)10(16)14-2-1-3-15/h4-5,15H,1-3H2,(H,14,16)(H2,13,17,18)
InChIKeyOZBGWVAREHIEDY-UHFFFAOYSA-N
XLogP0.75
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 50.75
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

2,4-dichloro-N-pentyl-5-sulfamoylbenzamide
CID 60635006
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
CID 60636009
2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide
CID 79140385
2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65373631
N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide
CID 60699230
2,4-dichloro-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 65396081
2,4-dichloro-N-(2-ethoxypropyl)-5-sulfamoylbenzamide
CID 115665377
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675
N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 4917995
2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65375166
2-chloro-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzamide
CID 117044380
bis(2,4-dichloro-5-sulfamoylbenzoic acid);ethane-1,2-diamine
CID 50942703

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide?
The IUPAC name of 2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide (CID 126508709) is 2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCCCO)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide?
The InChIKey is OZBGWVAREHIEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O4S/c11-7-5-8(12)9(19(13,17)18)4-6(7)10(16)14-2-1-3-15/h4-5,15H,1-3H2,(H,14,16)(H2,13,17,18).
What are the key properties of 2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide?
2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide has a molecular weight of 327.19 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 126508709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).