4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide

C13H18ClFN2O3S — CID 103465691

IUPAC4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide
SMILESCCC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F
InChIInChI=1S/C13H18ClFN2O3S/c1-4-13(2,3)7-17-12(18)8-5-11(21(16,19)20)9(14)6-10(8)15/h5-6H,4,7H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyUOXLNHCGCJKTMK-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.29
Rot. Bonds5

About 4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide

4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide (PubChem CID 103465691) has the molecular formula C13H18ClFN2O3S and a molecular weight of 336.82 g/mol. Its IUPAC name is 4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide
PubChem CID103465691
Molecular FormulaC13H18ClFN2O3S
Molecular Weight336.82 g/mol
Exact Mass336.07
IUPAC Name4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide
SMILESCCC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F
InChIInChI=1S/C13H18ClFN2O3S/c1-4-13(2,3)7-17-12(18)8-5-11(21(16,19)20)9(14)6-10(8)15/h5-6H,4,7H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyUOXLNHCGCJKTMK-UHFFFAOYSA-N
XLogP2.29
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide
CID 104766743
5-(2,2-dimethylbutylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
CID 103465541
N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 103465735
3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
CID 103465720
4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387595
4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide
CID 100913420
N-(3-bromo-2,2-dimethylpropyl)-4-chloro-2,5-difluorobenzamide
CID 82773293
4-chloro-5-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65370403
3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
CID 103465788
3-(2,2-dimethylbutylcarbamoyl)-4,5-difluorobenzenesulfonyl chloride
CID 103465632
2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65373631
4-chloro-N-(2,4-dichlorophenyl)-2-fluoro-5-sulfamoylbenzamide
CID 100913416

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide (CID 103465691) is 4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide is CCC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F.
What is the InChIKey of 4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide?
The InChIKey is UOXLNHCGCJKTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O3S/c1-4-13(2,3)7-17-12(18)8-5-11(21(16,19)20)9(14)6-10(8)15/h5-6H,4,7H2,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of 4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide?
4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide has a molecular weight of 336.82 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 103465691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).