1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide

C4H8ClF2NO2S — CID 131228147

IUPAC1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide
SMILESCC(NS(=O)(=O)CCl)C(F)F
InChIInChI=1S/C4H8ClF2NO2S/c1-3(4(6)7)8-11(9,10)2-5/h3-4,8H,2H2,1H3
InChIKeyIAOXFGJRQSHQHK-UHFFFAOYSA-N
MW207.63 g/mol
LogP0.76
Rot. Bonds4

About 1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide

1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide (PubChem CID 131228147) has the molecular formula C4H8ClF2NO2S and a molecular weight of 207.63 g/mol. Its IUPAC name is 1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide
PubChem CID131228147
Molecular FormulaC4H8ClF2NO2S
Molecular Weight207.63 g/mol
Exact Mass206.99
IUPAC Name1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide
SMILESCC(NS(=O)(=O)CCl)C(F)F
InChIInChI=1S/C4H8ClF2NO2S/c1-3(4(6)7)8-11(9,10)2-5/h3-4,8H,2H2,1H3
InChIKeyIAOXFGJRQSHQHK-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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Related Compounds

1,1,1-trifluoro-N-pentan-3-ylmethanesulfonamide
CID 166445234
Methanesulfonamide, 1-chloro-N-(1-methylethyl)-
CID 3016718
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
n-(3,3-Difluoro-cyclobutyl)-methanesulfonamide
CID 22500956
Isopropyl(trifluoromethylsulfonyl)amine
CID 22908457
1,1-difluoro-N-propylmethanesulfonamide
CID 43258994
2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide
CID 58525236
2,2,2-trifluoro-N-propan-2-ylethanesulfonamide
CID 59302447
1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 64295572
N-(3,3,3-trifluoropropyl)methanesulfonamide
CID 64586125
N-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide
CID 87160176
1-fluoro-N-propan-2-ylmethanesulfonamide
CID 88291726

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide (CID 131228147) is 1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide is CC(NS(=O)(=O)CCl)C(F)F.
What is the InChIKey of 1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide?
The InChIKey is IAOXFGJRQSHQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClF2NO2S/c1-3(4(6)7)8-11(9,10)2-5/h3-4,8H,2H2,1H3.
What are the key properties of 1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide?
1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide 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 1-chloro-N-(1,1-difluoropropan-2-yl)methanesulfonamide is sourced from PubChem (CID 131228147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).