N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide

C14H19FN2O3S — CID 115880589

IUPACN-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide
SMILESCC1(C)CCC(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1
InChIInChI=1S/C14H19FN2O3S/c1-14(2)6-5-10(8-14)17-13(18)9-3-4-11(15)12(7-9)21(16,19)20/h3-4,7,10H,5-6,8H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyPUQKZMGFPQTVMP-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.78
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide

N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide (PubChem CID 115880589) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide
PubChem CID115880589
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide
SMILESCC1(C)CCC(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1
InChIInChI=1S/C14H19FN2O3S/c1-14(2)6-5-10(8-14)17-13(18)9-3-4-11(15)12(7-9)21(16,19)20/h3-4,7,10H,5-6,8H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyPUQKZMGFPQTVMP-UHFFFAOYSA-N
XLogP1.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylcyclopentyl)-4-methyl-3-sulfamoylbenzamide
CID 115880894
N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide
CID 115880821
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide
CID 114540712
3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
CID 114542653
4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63613936
N-(3,3-dimethylcyclopentyl)-3-methyl-4-(methylamino)benzamide
CID 114540797
3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide
CID 31966533
N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
CID 115881808
2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
CID 115880901
4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 107034256
4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880620

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide (CID 115880589) is N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide is CC1(C)CCC(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide?
The InChIKey is PUQKZMGFPQTVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-14(2)6-5-10(8-14)17-13(18)9-3-4-11(15)12(7-9)21(16,19)20/h3-4,7,10H,5-6,8H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide?
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide has a molecular weight of 314.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide is sourced from PubChem (CID 115880589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).