N-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C9H17ClF3NO3S — CID 107493088

IUPACN-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(CCCl)CC(F)(F)F
InChIInChI=1S/C9H17ClF3NO3S/c1-8(2)17-5-6-18(15,16)14(4-3-10)7-9(11,12)13/h8H,3-7H2,1-2H3
InChIKeySFJXLSQQNQOGBC-UHFFFAOYSA-N
MW311.75 g/mol
LogP1.84
Rot. Bonds8

About N-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 107493088) has the molecular formula C9H17ClF3NO3S and a molecular weight of 311.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID107493088
Molecular FormulaC9H17ClF3NO3S
Molecular Weight311.75 g/mol
Exact Mass311.06
IUPAC NameN-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(CCCl)CC(F)(F)F
InChIInChI=1S/C9H17ClF3NO3S/c1-8(2)17-5-6-18(15,16)14(4-3-10)7-9(11,12)13/h8H,3-7H2,1-2H3
InChIKeySFJXLSQQNQOGBC-UHFFFAOYSA-N
XLogP1.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 54877382
3-chloro-N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 79586272
N-(2-chloro-3-methoxypropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83060149
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-methoxypropane-1-sulfonamide
CID 107492834
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 107492854
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethoxyethanesulfonamide
CID 107492855
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide
CID 107492880
N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-4-sulfonamide
CID 107492886
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxyethanesulfonamide
CID 107492894
N-(2-chloroethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 107493030
N-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 107493050
N-(2-chloroethyl)-2-ethoxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493051

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 107493088) is N-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CC(C)OCCS(=O)(=O)N(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is SFJXLSQQNQOGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClF3NO3S/c1-8(2)17-5-6-18(15,16)14(4-3-10)7-9(11,12)13/h8H,3-7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 311.75 g/mol, XLogP of 1.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 107493088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).