N-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide

C4H8ClF2NO2S — CID 65030959

IUPACN-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCC(CCl)NS(=O)(=O)C(F)F
InChIInChI=1S/C4H8ClF2NO2S/c1-3(2-5)8-11(9,10)4(6)7/h3-4,8H,2H2,1H3
InChIKeyYKEBMPPKZLRSKL-UHFFFAOYSA-N
MW207.63 g/mol
LogP0.76
Rot. Bonds4

About N-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide

N-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide (PubChem CID 65030959) has the molecular formula C4H8ClF2NO2S and a molecular weight of 207.63 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide
PubChem CID65030959
Molecular FormulaC4H8ClF2NO2S
Molecular Weight207.63 g/mol
Exact Mass206.99
IUPAC NameN-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCC(CCl)NS(=O)(=O)C(F)F
InChIInChI=1S/C4H8ClF2NO2S/c1-3(2-5)8-11(9,10)4(6)7/h3-4,8H,2H2,1H3
InChIKeyYKEBMPPKZLRSKL-UHFFFAOYSA-N
XLogP0.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.63
LogP ≤ 50.76
H-Bond Donors ≤ 51
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-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide (CID 65030959) is N-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide is CC(CCl)NS(=O)(=O)C(F)F.
What is the InChIKey of N-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is YKEBMPPKZLRSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClF2NO2S/c1-3(2-5)8-11(9,10)4(6)7/h3-4,8H,2H2,1H3.
What are the key properties of N-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide?
N-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 207.63 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 65030959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).