N-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C6H5ClF9NO2S — CID 134928622

IUPACN-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESCCN(Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5ClF9NO2S/c1-2-17(7)20(18,19)6(15,16)4(10,11)3(8,9)5(12,13)14/h2H2,1H3
InChIKeyAMXNTMQSLWPQAH-UHFFFAOYSA-N
MW361.61 g/mol
LogP3.22
Rot. Bonds5

About N-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

N-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 134928622) has the molecular formula C6H5ClF9NO2S and a molecular weight of 361.61 g/mol. Its IUPAC name is N-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID134928622
Molecular FormulaC6H5ClF9NO2S
Molecular Weight361.61 g/mol
Exact Mass360.96
IUPAC NameN-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESCCN(Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5ClF9NO2S/c1-2-17(7)20(18,19)6(15,16)4(10,11)3(8,9)5(12,13)14/h2H2,1H3
InChIKeyAMXNTMQSLWPQAH-UHFFFAOYSA-N
XLogP3.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.61
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
CID 17856182
N-bromo-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 11761307
N-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
CID 14928170
N-chloro-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
CID 134928553
1,1,2,2,2-Pentafluoroethylsulfonyl(2,2,3,3,3-pentafluoropropyl)azanide
CID 57935454
2-Fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
CID 59713179
N-chloro-1,1,2,2,3,3,4,4-octafluoro-N-methylbutane-1-sulfonamide
CID 89126161
N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide
CID 91213921
1,1,2,2,3,3-Hexafluorobutylsulfonyl(methyl)azanide
CID 164102765
N-ethyl-1,1,2,2,2-pentafluoro-N-(trifluoromethylsulfinyl)ethanesulfonamide
CID 170273180
1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonyl(propyl)azanide
CID 150564011

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of N-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 134928622) is N-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for N-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for N-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is CCN(Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is AMXNTMQSLWPQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF9NO2S/c1-2-17(7)20(18,19)6(15,16)4(10,11)3(8,9)5(12,13)14/h2H2,1H3.
What are the key properties of N-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
N-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 361.61 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 134928622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).