N-(cyclohexen-1-yl)-4-fluoro-2-methylbenzenesulfonamide

C13H16FNO2S — CID 141441405

IUPACN-(cyclohexen-1-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC1=CCCCC1
InChIInChI=1S/C13H16FNO2S/c1-10-9-11(14)7-8-13(10)18(16,17)15-12-5-3-2-4-6-12/h5,7-9,15H,2-4,6H2,1H3
InChIKeyNQZFXGKULMODPD-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.87
Rot. Bonds3

About N-(cyclohexen-1-yl)-4-fluoro-2-methylbenzenesulfonamide

N-(cyclohexen-1-yl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 141441405) has the molecular formula C13H16FNO2S and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID141441405
Molecular FormulaC13H16FNO2S
Molecular Weight269.34 g/mol
Exact Mass269.09
IUPAC NameN-(cyclohexen-1-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC1=CCCCC1
InChIInChI=1S/C13H16FNO2S/c1-10-9-11(14)7-8-13(10)18(16,17)15-12-5-3-2-4-6-12/h5,7-9,15H,2-4,6H2,1H3
InChIKeyNQZFXGKULMODPD-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3715583
4-Fluoro-2-methylbenzenesulfonamide
CID 854147
5-Fluoro-2-methylbenzenesulfonamide
CID 341078
4-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 24319582
N-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide
CID 935294
N-(2-(cyclohex-1-en-1-yl)ethyl)-4-fluoro-3-methylbenzenesulfonamide
CID 8721899
N-(2-aminoethyl)-3-fluoro-2-methylbenzene-1-sulfonamide
CID 75430985
N-(1-amino-2-methylpropan-2-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 75431088
3-(2-phenylethyl)-2H-1lambda6,2-benzothiazine 1,1-dioxide
CID 156020155
3-butyl-2H-1lambda6,2-benzothiazine 1,1-dioxide
CID 156020649
N-Butyl-o-toluenesulphonamide
CID 3018131
N-[(1R,2R)-2-fluorocyclohexyl]-4-methylbenzenesulfonamide
CID 12124062

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(cyclohexen-1-yl)-4-fluoro-2-methylbenzenesulfonamide (CID 141441405) is N-(cyclohexen-1-yl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(cyclohexen-1-yl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NC1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is NQZFXGKULMODPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2S/c1-10-9-11(14)7-8-13(10)18(16,17)15-12-5-3-2-4-6-12/h5,7-9,15H,2-4,6H2,1H3.
What are the key properties of N-(cyclohexen-1-yl)-4-fluoro-2-methylbenzenesulfonamide?
N-(cyclohexen-1-yl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 269.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 141441405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).