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

C11H14Cl2N2O4S — CID 60636009

IUPAC2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
SMILESCOCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O4S/c1-19-4-2-3-15-11(16)7-5-10(20(14,17)18)9(13)6-8(7)12/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyBLJNBYLBDLSIBX-UHFFFAOYSA-N
MW341.22 g/mol
LogP1.41
Rot. Bonds6

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

2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide (PubChem CID 60636009) has the molecular formula C11H14Cl2N2O4S and a molecular weight of 341.22 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
PubChem CID60636009
Molecular FormulaC11H14Cl2N2O4S
Molecular Weight341.22 g/mol
Exact Mass340.01
IUPAC Name2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
SMILESCOCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O4S/c1-19-4-2-3-15-11(16)7-5-10(20(14,17)18)9(13)6-8(7)12/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyBLJNBYLBDLSIBX-UHFFFAOYSA-N
XLogP1.41
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
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-hydroxypropyl)-5-sulfamoylbenzamide
CID 126508709
3-methoxypropyl 2,4-dichloro-5-sulfamoylbenzoate
CID 65381030
2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65375166
2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide
CID 60637644
5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide
CID 65375386
N-(3-methoxypropyl)-2-sulfamoylbenzamide
CID 43164716
2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
CID 64688965
2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65373631
2,4-dichloro-N-(2-ethoxypropyl)-5-sulfamoylbenzamide
CID 115665377
2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide
CID 79140385
2,4-dichloro-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 43235233

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide?
The IUPAC name of 2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide (CID 60636009) is 2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide is COCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide?
The InChIKey is BLJNBYLBDLSIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O4S/c1-19-4-2-3-15-11(16)7-5-10(20(14,17)18)9(13)6-8(7)12/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide?
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide has a molecular weight of 341.22 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 60636009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).