N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide

C14H20FNO2S — CID 107326745

IUPACN-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N(C)C(C)C1CC1
InChIInChI=1S/C14H20FNO2S/c1-9-7-13(15)8-10(2)14(9)19(17,18)16(4)11(3)12-5-6-12/h7-8,11-12H,5-6H2,1-4H3
InChIKeyZPXKPKKARILANZ-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.86
Rot. Bonds4

About N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide

N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide (PubChem CID 107326745) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
PubChem CID107326745
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC NameN-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N(C)C(C)C1CC1
InChIInChI=1S/C14H20FNO2S/c1-9-7-13(15)8-10(2)14(9)19(17,18)16(4)11(3)12-5-6-12/h7-8,11-12H,5-6H2,1-4H3
InChIKeyZPXKPKKARILANZ-UHFFFAOYSA-N
XLogP2.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide
CID 95588566
2-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]propanoic acid
CID 107326361
N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326759
2-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]propanethioamide
CID 107327661
N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326719
N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide
CID 93042358
4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 107326757
4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide
CID 54920579
4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791377
N-(1-cyclopropylethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 134018149
N-(1-cyclopropylethyl)-N,4-dimethyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751637
4-[1-cyclopropylethyl(methyl)sulfamoyl]-3-fluorobenzoic acid
CID 79187636

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide (CID 107326745) is N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)N(C)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide?
The InChIKey is ZPXKPKKARILANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-9-7-13(15)8-10(2)14(9)19(17,18)16(4)11(3)12-5-6-12/h7-8,11-12H,5-6H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide?
N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide has a molecular weight of 285.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 107326745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).