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

C12H14ClFN2O3S — CID 65387287

IUPAC2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide
SMILESCC1(C)CC1NC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C12H14ClFN2O3S/c1-12(2)5-10(12)16-11(17)6-3-9(20(15,18)19)8(14)4-7(6)13/h3-4,10H,5H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyPXPOBNQWZFKKSK-UHFFFAOYSA-N
MW320.77 g/mol
LogP1.65
Rot. Bonds3

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

2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide (PubChem CID 65387287) has the molecular formula C12H14ClFN2O3S and a molecular weight of 320.77 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide
PubChem CID65387287
Molecular FormulaC12H14ClFN2O3S
Molecular Weight320.77 g/mol
Exact Mass320.04
IUPAC Name2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide
SMILESCC1(C)CC1NC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C12H14ClFN2O3S/c1-12(2)5-10(12)16-11(17)6-3-9(20(15,18)19)8(14)4-7(6)13/h3-4,10H,5H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyPXPOBNQWZFKKSK-UHFFFAOYSA-N
XLogP1.65
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2,2-dimethylcyclopropyl)-5-fluoro-3-sulfamoylbenzamide
CID 63932506
5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide
CID 61217679
2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide
CID 65373984
2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65375166
2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65373631
4-chloro-5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide
CID 79179813
4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 113486103
2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
CID 115880901
2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide
CID 65387506
5-bromo-N-(2,2-dimethylcyclopropyl)-4-sulfamoylfuran-2-carboxamide
CID 65388249
4-chloro-2-fluoro-5-(oxan-4-ylcarbamoyl)benzenesulfonyl chloride
CID 65371146
5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide
CID 55047042

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide (CID 65387287) is 2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide is CC1(C)CC1NC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl.
What is the InChIKey of 2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide?
The InChIKey is PXPOBNQWZFKKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O3S/c1-12(2)5-10(12)16-11(17)6-3-9(20(15,18)19)8(14)4-7(6)13/h3-4,10H,5H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide?
2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide has a molecular weight of 320.77 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 65387287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).