4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide

C12H16ClFN2O4S — CID 104766743

IUPAC4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide
SMILESCOC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F
InChIInChI=1S/C12H16ClFN2O4S/c1-12(2,20-3)6-16-11(17)7-4-10(21(15,18)19)8(13)5-9(7)14/h4-5H,6H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyXTZCOVJIHRDOOJ-UHFFFAOYSA-N
MW338.79 g/mol
LogP1.28
Rot. Bonds5

About 4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide

4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide (PubChem CID 104766743) has the molecular formula C12H16ClFN2O4S and a molecular weight of 338.79 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide
PubChem CID104766743
Molecular FormulaC12H16ClFN2O4S
Molecular Weight338.79 g/mol
Exact Mass338.05
IUPAC Name4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide
SMILESCOC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F
InChIInChI=1S/C12H16ClFN2O4S/c1-12(2,20-3)6-16-11(17)7-4-10(21(15,18)19)8(13)5-9(7)14/h4-5H,6H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyXTZCOVJIHRDOOJ-UHFFFAOYSA-N
XLogP1.28
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 103465691
N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide
CID 115661128
5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide
CID 104766748
4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387595
2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65375166
4-fluoro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
CID 104766765
4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
CID 104766737
4-chloro-5-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65370403
1-methoxypropan-2-yl 4-chloro-2-fluoro-5-sulfamoylbenzoate
CID 65381713
4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104765666
4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide
CID 100913420
pentyl 4-chloro-2-fluoro-5-sulfamoylbenzoate
CID 65379672

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide (CID 104766743) is 4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide is COC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide?
The InChIKey is XTZCOVJIHRDOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O4S/c1-12(2,20-3)6-16-11(17)7-4-10(21(15,18)19)8(13)5-9(7)14/h4-5H,6H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide?
4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide has a molecular weight of 338.79 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 104766743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).