N-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide

C5H10ClF2NO2S — CID 63397310

IUPACN-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide
SMILESCC(Cl)CN(C)S(=O)(=O)C(F)F
InChIInChI=1S/C5H10ClF2NO2S/c1-4(6)3-9(2)12(10,11)5(7)8/h4-5H,3H2,1-2H3
InChIKeyQRYULUMLRJNBMC-UHFFFAOYSA-N
MW221.66 g/mol
LogP1.10
Rot. Bonds4

About N-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide

N-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide (PubChem CID 63397310) has the molecular formula C5H10ClF2NO2S and a molecular weight of 221.66 g/mol. Its IUPAC name is N-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide
PubChem CID63397310
Molecular FormulaC5H10ClF2NO2S
Molecular Weight221.66 g/mol
Exact Mass221.01
IUPAC NameN-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide
SMILESCC(Cl)CN(C)S(=O)(=O)C(F)F
InChIInChI=1S/C5H10ClF2NO2S/c1-4(6)3-9(2)12(10,11)5(7)8/h4-5H,3H2,1-2H3
InChIKeyQRYULUMLRJNBMC-UHFFFAOYSA-N
XLogP1.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide?
The IUPAC name of N-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide (CID 63397310) is N-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide is CC(Cl)CN(C)S(=O)(=O)C(F)F.
What is the InChIKey of N-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide?
The InChIKey is QRYULUMLRJNBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClF2NO2S/c1-4(6)3-9(2)12(10,11)5(7)8/h4-5H,3H2,1-2H3.
What are the key properties of N-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide?
N-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide has a molecular weight of 221.66 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-1,1-difluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 63397310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).