N-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide

C9H15ClF3NO3S — CID 107493050

IUPACN-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C9H15ClF3NO3S/c10-3-4-14(7-9(11,12)13)18(15,16)6-8-2-1-5-17-8/h8H,1-7H2
InChIKeyPVXAQIWVTWCGFZ-UHFFFAOYSA-N
MW309.74 g/mol
LogP1.60
Rot. Bonds6

About N-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 107493050) has the molecular formula C9H15ClF3NO3S and a molecular weight of 309.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID107493050
Molecular FormulaC9H15ClF3NO3S
Molecular Weight309.74 g/mol
Exact Mass309.04
IUPAC NameN-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C9H15ClF3NO3S/c10-3-4-14(7-9(11,12)13)18(15,16)6-8-2-1-5-17-8/h8H,1-7H2
InChIKeyPVXAQIWVTWCGFZ-UHFFFAOYSA-N
XLogP1.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 51.60
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

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 107492854
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)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493088
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide
CID 113966176
N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55187073
N-(2-chloroethyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 63396483
N-(2-chloropropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 63397220
N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide
CID 63397486
N-(2-chloroethyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63397633
N-(2-chloroethyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide
CID 63397753
N,N-bis(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 81935692

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 107493050) is N-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide is O=S(=O)(CC1CCCO1)N(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is PVXAQIWVTWCGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO3S/c10-3-4-14(7-9(11,12)13)18(15,16)6-8-2-1-5-17-8/h8H,1-7H2.
What are the key properties of N-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 309.74 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 107493050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).