4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide

C12H16FNO2S — CID 107327467

IUPAC4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1(C)CC1
InChIInChI=1S/C12H16FNO2S/c1-8-6-10(13)7-9(2)11(8)17(15,16)14-12(3)4-5-12/h6-7,14H,4-5H2,1-3H3
InChIKeyMCCJFOCCLPPMKZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.27
Rot. Bonds3

About 4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide

4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide (PubChem CID 107327467) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
PubChem CID107327467
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1(C)CC1
InChIInChI=1S/C12H16FNO2S/c1-8-6-10(13)7-9(2)11(8)17(15,16)14-12(3)4-5-12/h6-7,14H,4-5H2,1-3H3
InChIKeyMCCJFOCCLPPMKZ-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485231
N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325936
N-[4-(chloromethyl)oxan-4-yl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106301387
N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327301
N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 114107748
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533
N-[(1-aminocyclobutyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328370
4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 107327543
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327558
4-fluoro-N-[(1-hydroxycyclohexyl)methyl]-2,6-dimethylbenzenesulfonamide
CID 107327238
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329415
3-(aminomethyl)-4-fluoro-5-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113486198

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide (CID 107327467) is 4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC1(C)CC1.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide?
The InChIKey is MCCJFOCCLPPMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-8-6-10(13)7-9(2)11(8)17(15,16)14-12(3)4-5-12/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide?
4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide has a molecular weight of 257.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 107327467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).