2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide

C11H14Cl2N2O4S — CID 60637644

IUPAC2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide
SMILESCOCC(C)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O4S/c1-6(5-19-2)15-11(16)7-3-10(20(14,17)18)9(13)4-8(7)12/h3-4,6H,5H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyLNOUNZAVGPBWTI-UHFFFAOYSA-N
MW341.22 g/mol
LogP1.41
Rot. Bonds5

About 2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide

2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide (PubChem CID 60637644) has the molecular formula C11H14Cl2N2O4S and a molecular weight of 341.22 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide
PubChem CID60637644
Molecular FormulaC11H14Cl2N2O4S
Molecular Weight341.22 g/mol
Exact Mass340.01
IUPAC Name2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide
SMILESCOCC(C)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O4S/c1-6(5-19-2)15-11(16)7-3-10(20(14,17)18)9(13)4-8(7)12/h3-4,6H,5H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyLNOUNZAVGPBWTI-UHFFFAOYSA-N
XLogP1.41
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

2,4-dichloro-N-(1-ethoxypropan-2-yl)-5-sulfamoylbenzamide
CID 65389005
2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
CID 64688965
2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 30481632
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
CID 60636009
2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 51072684
3-methoxypropyl 2,4-dichloro-5-sulfamoylbenzoate
CID 65381030
2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide
CID 63297293
2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide
CID 97082555
4-(dimethylamino)-N-(1-methoxypropan-2-yl)-3-sulfamoylbenzamide
CID 65375926
N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide
CID 60699230
4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387595
2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide
CID 65373984

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide (CID 60637644) is 2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide is COCC(C)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide?
The InChIKey is LNOUNZAVGPBWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O4S/c1-6(5-19-2)15-11(16)7-3-10(20(14,17)18)9(13)4-8(7)12/h3-4,6H,5H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide?
2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide has a molecular weight of 341.22 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 60637644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).