N-(3-chloro-4-fluorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide

C16H19ClFNO3S — CID 3672698

IUPACN-(3-chloro-4-fluorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)Nc1ccc(F)c(Cl)c1)C(=O)C2
InChIInChI=1S/C16H19ClFNO3S/c1-15(2)10-5-6-16(15,14(20)7-10)9-23(21,22)19-11-3-4-13(18)12(17)8-11/h3-4,8,10,19H,5-7,9H2,1-2H3
InChIKeyGVZMQDRHSHYFNZ-UHFFFAOYSA-N
MW359.85 g/mol
LogP3.62
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide

N-(3-chloro-4-fluorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide (PubChem CID 3672698) has the molecular formula C16H19ClFNO3S and a molecular weight of 359.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
PubChem CID3672698
Molecular FormulaC16H19ClFNO3S
Molecular Weight359.85 g/mol
Exact Mass359.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)Nc1ccc(F)c(Cl)c1)C(=O)C2
InChIInChI=1S/C16H19ClFNO3S/c1-15(2)10-5-6-16(15,14(20)7-10)9-23(21,22)19-11-3-4-13(18)12(17)8-11/h3-4,8,10,19H,5-7,9H2,1-2H3
InChIKeyGVZMQDRHSHYFNZ-UHFFFAOYSA-N
XLogP3.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide (CID 3672698) is N-(3-chloro-4-fluorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide is CC1(C)C2CCC1(CS(=O)(=O)Nc1ccc(F)c(Cl)c1)C(=O)C2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The InChIKey is GVZMQDRHSHYFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO3S/c1-15(2)10-5-6-16(15,14(20)7-10)9-23(21,22)19-11-3-4-13(18)12(17)8-11/h3-4,8,10,19H,5-7,9H2,1-2H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
N-(3-chloro-4-fluorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide has a molecular weight of 359.85 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide is sourced from PubChem (CID 3672698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).