N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide

C12H15F2NO2S — CID 95588566

IUPACN-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide
SMILESC[C@@H](C1CC1)N(C)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO2S/c1-8(9-6-7-9)15(2)18(16,17)12-10(13)4-3-5-11(12)14/h3-5,8-9H,6-7H2,1-2H3/t8-/m0/s1
InChIKeyPOWXPIIWNVGCFL-QMMMGPOBSA-N
MW275.32 g/mol
LogP2.38
Rot. Bonds4

About N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide

N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide (PubChem CID 95588566) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide
PubChem CID95588566
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide
SMILESC[C@@H](C1CC1)N(C)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO2S/c1-8(9-6-7-9)15(2)18(16,17)12-10(13)4-3-5-11(12)14/h3-5,8-9H,6-7H2,1-2H3/t8-/m0/s1
InChIKeyPOWXPIIWNVGCFL-QMMMGPOBSA-N
XLogP2.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide
CID 93042358
N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326745
4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791377
4-[1-cyclopropylethyl(methyl)sulfamoyl]-3-fluorobenzoic acid
CID 79187636
N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide
CID 8817126
4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 134018131
2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 5184703
2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 42942284
N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide
CID 62145589
N-(1-cyclopropylethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 134018149
N-(1-cyclopropylethyl)-N-methyl-4-nitrobenzenesulfonamide
CID 47149207
4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 116529347

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide (CID 95588566) is N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide is C[C@@H](C1CC1)N(C)S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide?
The InChIKey is POWXPIIWNVGCFL-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c1-8(9-6-7-9)15(2)18(16,17)12-10(13)4-3-5-11(12)14/h3-5,8-9H,6-7H2,1-2H3/t8-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide?
N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide has a molecular weight of 275.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 95588566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).