5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide

C12H17ClN2O5S — CID 65375386

IUPAC5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide
SMILESCOCCCNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1OC
InChIInChI=1S/C12H17ClN2O5S/c1-19-5-3-4-15-12(16)9-6-8(13)7-10(11(9)20-2)21(14,17)18/h6-7H,3-5H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyFGAUSGRXYWWBRK-UHFFFAOYSA-N
MW336.80 g/mol
LogP0.76
Rot. Bonds7

About 5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide

5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide (PubChem CID 65375386) has the molecular formula C12H17ClN2O5S and a molecular weight of 336.80 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide
PubChem CID65375386
Molecular FormulaC12H17ClN2O5S
Molecular Weight336.80 g/mol
Exact Mass336.05
IUPAC Name5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide
SMILESCOCCCNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1OC
InChIInChI=1S/C12H17ClN2O5S/c1-19-5-3-4-15-12(16)9-6-8(13)7-10(11(9)20-2)21(14,17)18/h6-7H,3-5H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyFGAUSGRXYWWBRK-UHFFFAOYSA-N
XLogP0.76
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide
CID 114267192
5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65367857
5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide
CID 115408938
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
CID 60636009
5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide
CID 65374998
N-(3-methoxypropyl)-2-sulfamoylbenzamide
CID 43164716
2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate
CID 65380265
2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 104766713
2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide
CID 63931433
4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide
CID 65387428
pentan-2-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate
CID 102988512

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide (CID 65375386) is 5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide is COCCCNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1OC.
What is the InChIKey of 5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide?
The InChIKey is FGAUSGRXYWWBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O5S/c1-19-5-3-4-15-12(16)9-6-8(13)7-10(11(9)20-2)21(14,17)18/h6-7H,3-5H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide?
5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide has a molecular weight of 336.80 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65375386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).