2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide

C12H16ClFN2O3S — CID 65373984

IUPAC2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide
SMILESCCCC(C)NC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O3S/c1-3-4-7(2)16-12(17)8-5-11(20(15,18)19)10(14)6-9(8)13/h5-7H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyAJNWOQBFWXAMCF-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.04
Rot. Bonds5

About 2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide

2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide (PubChem CID 65373984) has the molecular formula C12H16ClFN2O3S and a molecular weight of 322.79 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide
PubChem CID65373984
Molecular FormulaC12H16ClFN2O3S
Molecular Weight322.79 g/mol
Exact Mass322.06
IUPAC Name2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide
SMILESCCCC(C)NC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O3S/c1-3-4-7(2)16-12(17)8-5-11(20(15,18)19)10(14)6-9(8)13/h5-7H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyAJNWOQBFWXAMCF-UHFFFAOYSA-N
XLogP2.04
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65373631
4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387595
2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65375166
2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide
CID 63297293
4-bromo-2-chloro-N-hexan-3-yl-5-sulfamoylbenzamide
CID 65386333
2,4-dichloro-N-(1-ethoxypropan-2-yl)-5-sulfamoylbenzamide
CID 65389005
2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide
CID 60637644
2-fluoro-3-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 81478345
2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide
CID 65387287
N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65373674
2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide
CID 30397362
2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 42890307

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide (CID 65373984) is 2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide is CCCC(C)NC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide?
The InChIKey is AJNWOQBFWXAMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O3S/c1-3-4-7(2)16-12(17)8-5-11(20(15,18)19)10(14)6-9(8)13/h5-7H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide?
2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide has a molecular weight of 322.79 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 65373984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).