N-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide

C7H7ClF9NO2S — CID 131728715

IUPACN-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
SMILESCN(CCCl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7ClF9NO2S/c1-18(3-2-8)21(19,20)7(16,17)5(11,12)4(9,10)6(13,14)15/h2-3H2,1H3
InChIKeyGJSHUKJNQFSJTC-UHFFFAOYSA-N
MW375.64 g/mol
LogP2.91
Rot. Bonds6

About N-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide

N-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide (PubChem CID 131728715) has the molecular formula C7H7ClF9NO2S and a molecular weight of 375.64 g/mol. Its IUPAC name is N-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
PubChem CID131728715
Molecular FormulaC7H7ClF9NO2S
Molecular Weight375.64 g/mol
Exact Mass374.97
IUPAC NameN-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
SMILESCN(CCCl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7ClF9NO2S/c1-18(3-2-8)21(19,20)7(16,17)5(11,12)4(9,10)6(13,14)15/h2-3H2,1H3
InChIKeyGJSHUKJNQFSJTC-UHFFFAOYSA-N
XLogP2.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.64
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-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

Related Compounds

3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 60890473
N-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 63397310
2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 65754816
1-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 65754819
2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide
CID 65757011
N-(2-chloroethyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83058809
N-(2-chloroethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83059116
N-(2-chloropropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83059585
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide
CID 107492816
N-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-1-sulfonamide
CID 107492844
N-(2-chloroethyl)-N-(2,2-difluoroethyl)ethanesulfonamide
CID 107492862
N-(2-chloroethyl)-N-(2,2-difluoroethyl)propane-2-sulfonamide
CID 107492866

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide (CID 131728715) is N-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide is CN(CCCl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide?
The InChIKey is GJSHUKJNQFSJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF9NO2S/c1-18(3-2-8)21(19,20)7(16,17)5(11,12)4(9,10)6(13,14)15/h2-3H2,1H3.
What are the key properties of N-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide?
N-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide has a molecular weight of 375.64 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 131728715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).