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

C13H18FNO2S — CID 107326719

IUPACN-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC(C)C1CC1
InChIInChI=1S/C13H18FNO2S/c1-8-6-12(14)7-9(2)13(8)18(16,17)15-10(3)11-4-5-11/h6-7,10-11,15H,4-5H2,1-3H3
InChIKeyNWPHBPCTCSCSHE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.52
Rot. Bonds4

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

N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107326719) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107326719
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC NameN-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC(C)C1CC1
InChIInChI=1S/C13H18FNO2S/c1-8-6-12(14)7-9(2)13(8)18(16,17)15-10(3)11-4-5-11/h6-7,10-11,15H,4-5H2,1-3H3
InChIKeyNWPHBPCTCSCSHE-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 107326180
N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide
CID 8817126
N-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327255
4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107326702
ethyl 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 107327014
2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 103976987
(2R)-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 107326444
N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326745
N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide
CID 84843581
4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 107327006
N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide
CID 106505416

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107326719) is N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is NWPHBPCTCSCSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-8-6-12(14)7-9(2)13(8)18(16,17)15-10(3)11-4-5-11/h6-7,10-11,15H,4-5H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 271.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107326719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).