N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-methoxybenzenesulfonamide

C14H18FNO3S — CID 53278388

IUPACN-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC1CC2CCC1C2
InChIInChI=1S/C14H18FNO3S/c1-19-13-5-4-11(15)8-14(13)20(17,18)16-12-7-9-2-3-10(12)6-9/h4-5,8-10,12,16H,2-3,6-7H2,1H3
InChIKeyLSLWFPNFUTXYLP-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.30
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-methoxybenzenesulfonamide

N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-methoxybenzenesulfonamide (PubChem CID 53278388) has the molecular formula C14H18FNO3S and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-methoxybenzenesulfonamide
PubChem CID53278388
Molecular FormulaC14H18FNO3S
Molecular Weight299.37 g/mol
Exact Mass299.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC1CC2CCC1C2
InChIInChI=1S/C14H18FNO3S/c1-19-13-5-4-11(15)8-14(13)20(17,18)16-12-7-9-2-3-10(12)6-9/h4-5,8-10,12,16H,2-3,6-7H2,1H3
InChIKeyLSLWFPNFUTXYLP-UHFFFAOYSA-N
XLogP2.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-bicyclo[2.2.1]hept-2-yl-4-methoxybenzenesulfonamide
CID 2900004
4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2989021
N-cyclopentyl-5-fluoro-2-methoxybenzenesulfonamide
CID 935192
N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide
CID 967889
N-(3-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide
CID 2893758
2-methoxy-5-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2978475
N-cyclohexyl-2-methoxy-5-methylbenzenesulfonamide
CID 801220
N-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide
CID 850035
N-[2-(cyclohex-1-en-1-yl)ethyl]-5-fluoro-2-methoxybenzene-1-sulfonamide
CID 8721901
N-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide
CID 162419805
N-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide
CID 2942580
N-(cyclohexylmethyl)-4-methoxybenzenesulfonamide
CID 4812220

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-methoxybenzenesulfonamide (CID 53278388) is N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-methoxybenzenesulfonamide?
The InChIKey is LSLWFPNFUTXYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3S/c1-19-13-5-4-11(15)8-14(13)20(17,18)16-12-7-9-2-3-10(12)6-9/h4-5,8-10,12,16H,2-3,6-7H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-methoxybenzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-methoxybenzenesulfonamide has a molecular weight of 299.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-5-fluoro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 53278388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).