2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide

C12H22ClNO2S — CID 107652037

IUPAC2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide
SMILESCC12CCC(C1)C(C)(C)C2NS(=O)(=O)CCCl
InChIInChI=1S/C12H22ClNO2S/c1-11(2)9-4-5-12(3,8-9)10(11)14-17(15,16)7-6-13/h9-10,14H,4-8H2,1-3H3
InChIKeyOHHDMHYEUBDVGC-UHFFFAOYSA-N
MW279.83 g/mol
LogP2.36
Rot. Bonds4

About 2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide

2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide (PubChem CID 107652037) has the molecular formula C12H22ClNO2S and a molecular weight of 279.83 g/mol. Its IUPAC name is 2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide
PubChem CID107652037
Molecular FormulaC12H22ClNO2S
Molecular Weight279.83 g/mol
Exact Mass279.11
IUPAC Name2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide
SMILESCC12CCC(C1)C(C)(C)C2NS(=O)(=O)CCCl
InChIInChI=1S/C12H22ClNO2S/c1-11(2)9-4-5-12(3,8-9)10(11)14-17(15,16)7-6-13/h9-10,14H,4-8H2,1-3H3
InChIKeyOHHDMHYEUBDVGC-UHFFFAOYSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.83
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide (CID 107652037) is 2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide is CC12CCC(C1)C(C)(C)C2NS(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide?
The InChIKey is OHHDMHYEUBDVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO2S/c1-11(2)9-4-5-12(3,8-9)10(11)14-17(15,16)7-6-13/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide?
2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide has a molecular weight of 279.83 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide is sourced from PubChem (CID 107652037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).