3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

C6H11ClF3NO2S — CID 60890473

IUPAC3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)CCCCl
InChIInChI=1S/C6H11ClF3NO2S/c1-11(5-6(8,9)10)14(12,13)4-2-3-7/h2-5H2,1H3
InChIKeyYTYVVIRBDQQIOO-UHFFFAOYSA-N
MW253.67 g/mol
LogP1.44
Rot. Bonds5

About 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 60890473) has the molecular formula C6H11ClF3NO2S and a molecular weight of 253.67 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID60890473
Molecular FormulaC6H11ClF3NO2S
Molecular Weight253.67 g/mol
Exact Mass253.02
IUPAC Name3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)CCCCl
InChIInChI=1S/C6H11ClF3NO2S/c1-11(5-6(8,9)10)14(12,13)4-2-3-7/h2-5H2,1H3
InChIKeyYTYVVIRBDQQIOO-UHFFFAOYSA-N
XLogP1.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.67
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493058
N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride
CID 120875552
3-chloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
CID 63208860
3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide
CID 54877367
N-butan-2-yl-3-chloro-N-methylpropane-1-sulfonamide
CID 43654521
4-(3-chloropropylsulfonyl)-1,1,1-trifluorobutane
CID 88547149
3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide
CID 43653893
N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine
CID 107488814
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propane-1-sulfonamide
CID 43653867
5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane
CID 88547155
chloro N-methyl-N-(2,2,2-trifluoroethyl)sulfamate
CID 139547171
2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide
CID 116815382

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 60890473) is 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is YTYVVIRBDQQIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClF3NO2S/c1-11(5-6(8,9)10)14(12,13)4-2-3-7/h2-5H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 253.67 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 60890473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).