N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide

C16H19Cl2NO3S — CID 23430829

IUPACN-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
SMILESCC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C2
InChIInChI=1S/C16H19Cl2NO3S/c1-15(2)10-3-4-16(15,14(20)5-10)9-23(21,22)19-13-7-11(17)6-12(18)8-13/h6-8,10,19H,3-5,9H2,1-2H3/t10-,16+/m0/s1
InChIKeyQEYUYXDBMGXISD-MGPLVRAMSA-N
MW376.31 g/mol
LogP4.13
Rot. Bonds4

About N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide

N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide (PubChem CID 23430829) has the molecular formula C16H19Cl2NO3S and a molecular weight of 376.31 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
PubChem CID23430829
Molecular FormulaC16H19Cl2NO3S
Molecular Weight376.31 g/mol
Exact Mass375.05
IUPAC NameN-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
SMILESCC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C2
InChIInChI=1S/C16H19Cl2NO3S/c1-15(2)10-3-4-16(15,14(20)5-10)9-23(21,22)19-13-7-11(17)6-12(18)8-13/h6-8,10,19H,3-5,9H2,1-2H3/t10-,16+/m0/s1
InChIKeyQEYUYXDBMGXISD-MGPLVRAMSA-N
XLogP4.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide (CID 23430829) is N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide is CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C2.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide?
The InChIKey is QEYUYXDBMGXISD-MGPLVRAMSA-N. The full InChI is InChI=1S/C16H19Cl2NO3S/c1-15(2)10-3-4-16(15,14(20)5-10)9-23(21,22)19-13-7-11(17)6-12(18)8-13/h6-8,10,19H,3-5,9H2,1-2H3/t10-,16+/m0/s1.
What are the key properties of N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide?
N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide has a molecular weight of 376.31 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide is sourced from PubChem (CID 23430829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).