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

C16H20ClNO3S — CID 3627573

IUPACN-(4-chlorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)Nc1ccc(Cl)cc1)C(=O)C2
InChIInChI=1S/C16H20ClNO3S/c1-15(2)11-7-8-16(15,14(19)9-11)10-22(20,21)18-13-5-3-12(17)4-6-13/h3-6,11,18H,7-10H2,1-2H3
InChIKeyNGICSCAPXCPSTL-UHFFFAOYSA-N
MW341.86 g/mol
LogP3.48
Rot. Bonds4

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

N-(4-chlorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide (PubChem CID 3627573) has the molecular formula C16H20ClNO3S and a molecular weight of 341.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
PubChem CID3627573
Molecular FormulaC16H20ClNO3S
Molecular Weight341.86 g/mol
Exact Mass341.09
IUPAC NameN-(4-chlorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)Nc1ccc(Cl)cc1)C(=O)C2
InChIInChI=1S/C16H20ClNO3S/c1-15(2)11-7-8-16(15,14(19)9-11)10-22(20,21)18-13-5-3-12(17)4-6-13/h3-6,11,18H,7-10H2,1-2H3
InChIKeyNGICSCAPXCPSTL-UHFFFAOYSA-N
XLogP3.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide (CID 3627573) is N-(4-chlorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide is CC1(C)C2CCC1(CS(=O)(=O)Nc1ccc(Cl)cc1)C(=O)C2.
What is the InChIKey of N-(4-chlorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The InChIKey is NGICSCAPXCPSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3S/c1-15(2)11-7-8-16(15,14(19)9-11)10-22(20,21)18-13-5-3-12(17)4-6-13/h3-6,11,18H,7-10H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
N-(4-chlorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide has a molecular weight of 341.86 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide is sourced from PubChem (CID 3627573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).