N-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-4-methoxybenzenesulfonamide

C14H18FNO3S — CID 53283789

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1F
InChIInChI=1S/C14H18FNO3S/c1-19-14-5-4-11(8-12(14)15)20(17,18)16-13-7-9-2-3-10(13)6-9/h4-5,8-10,13,16H,2-3,6-7H2,1H3
InChIKeyRKCCKPLCOHMNRQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.30
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-4-methoxybenzenesulfonamide

N-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 53283789) 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)-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID53283789
Molecular FormulaC14H18FNO3S
Molecular Weight299.37 g/mol
Exact Mass299.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1F
InChIInChI=1S/C14H18FNO3S/c1-19-14-5-4-11(8-12(14)15)20(17,18)16-13-7-9-2-3-10(13)6-9/h4-5,8-10,13,16H,2-3,6-7H2,1H3
InChIKeyRKCCKPLCOHMNRQ-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

4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
N-bicyclo[2.2.1]hept-2-yl-4-methoxybenzenesulfonamide
CID 2900004
4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2989021
N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide
CID 935316
N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide
CID 935461
N-(3-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide
CID 2893758
sodium (Z)-7-[(1R,2S,3S)-3-[(4-methoxyphenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoate
CID 44297927
4-ethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2980145
N-cyclohexyl-3-fluoro-4-methoxybenzenesulfonamide
CID 5226240
N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 841713
N-cyclohexyl-4-methoxybenzenesulfonamide
CID 766282
N-bicyclo[2.2.1]hept-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2897391

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-4-methoxybenzenesulfonamide (CID 53283789) is N-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1F.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is RKCCKPLCOHMNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3S/c1-19-14-5-4-11(8-12(14)15)20(17,18)16-13-7-9-2-3-10(13)6-9/h4-5,8-10,13,16H,2-3,6-7H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-4-methoxybenzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-4-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)-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 53283789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).