N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide

C15H20FNO2S — CID 3471422

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC1CC2CCC1C2
InChIInChI=1S/C15H20FNO2S/c1-10-6-14(16)4-5-15(10)20(18,19)17-9-13-8-11-2-3-12(13)7-11/h4-6,11-13,17H,2-3,7-9H2,1H3
InChIKeyRFRGJYWVOFZOFJ-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.85
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 3471422) has the molecular formula C15H20FNO2S and a molecular weight of 297.39 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID3471422
Molecular FormulaC15H20FNO2S
Molecular Weight297.39 g/mol
Exact Mass297.12
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC1CC2CCC1C2
InChIInChI=1S/C15H20FNO2S/c1-10-6-14(16)4-5-15(10)20(18,19)17-9-13-8-11-2-3-12(13)7-11/h4-6,11-13,17H,2-3,7-9H2,1H3
InChIKeyRFRGJYWVOFZOFJ-UHFFFAOYSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide (CID 3471422) is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is RFRGJYWVOFZOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2S/c1-10-6-14(16)4-5-15(10)20(18,19)17-9-13-8-11-2-3-12(13)7-11/h4-6,11-13,17H,2-3,7-9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 297.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 3471422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).