5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide

C10H15ClF7NO2S — CID 19711032

IUPAC5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide
SMILESCN(CC(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)CCCCCCl
InChIInChI=1S/C10H15ClF7NO2S/c1-19(22(20,21)6-4-2-3-5-11)7-8(12,13)9(14,15)10(16,17)18/h2-7H2,1H3
InChIKeyCJCXLVIDLCJUPR-UHFFFAOYSA-N
MW381.74 g/mol
LogP3.49
Rot. Bonds9

About 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide

5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide (PubChem CID 19711032) has the molecular formula C10H15ClF7NO2S and a molecular weight of 381.74 g/mol. Its IUPAC name is 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide
PubChem CID19711032
Molecular FormulaC10H15ClF7NO2S
Molecular Weight381.74 g/mol
Exact Mass381.04
IUPAC Name5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide
SMILESCN(CC(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)CCCCCCl
InChIInChI=1S/C10H15ClF7NO2S/c1-19(22(20,21)6-4-2-3-5-11)7-8(12,13)9(14,15)10(16,17)18/h2-7H2,1H3
InChIKeyCJCXLVIDLCJUPR-UHFFFAOYSA-N
XLogP3.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.74
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide?
The IUPAC name of 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide (CID 19711032) is 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide?
The canonical SMILES for 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide is CN(CC(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)CCCCCCl.
What is the InChIKey of 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide?
The InChIKey is CJCXLVIDLCJUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF7NO2S/c1-19(22(20,21)6-4-2-3-5-11)7-8(12,13)9(14,15)10(16,17)18/h2-7H2,1H3.
What are the key properties of 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide?
5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide has a molecular weight of 381.74 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylpentane-1-sulfonamide is sourced from PubChem (CID 19711032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).