2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide

C12H20ClNO2S — CID 107651448

IUPAC2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NC1CC2CC1C1CCCC21
InChIInChI=1S/C12H20ClNO2S/c13-4-5-17(15,16)14-12-7-8-6-11(12)10-3-1-2-9(8)10/h8-12,14H,1-7H2
InChIKeyGQBYXYJXPMKJOI-UHFFFAOYSA-N
MW277.82 g/mol
LogP1.97
Rot. Bonds4

About 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide

2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide (PubChem CID 107651448) has the molecular formula C12H20ClNO2S and a molecular weight of 277.82 g/mol. Its IUPAC name is 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide
PubChem CID107651448
Molecular FormulaC12H20ClNO2S
Molecular Weight277.82 g/mol
Exact Mass277.09
IUPAC Name2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NC1CC2CC1C1CCCC21
InChIInChI=1S/C12H20ClNO2S/c13-4-5-17(15,16)14-12-7-8-6-11(12)10-3-1-2-9(8)10/h8-12,14H,1-7H2
InChIKeyGQBYXYJXPMKJOI-UHFFFAOYSA-N
XLogP1.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(8-Tricyclo[5.2.1.02,6]decanylamino)ethanesulfonamide
CID 43551954
3-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propane-1-sulfonamide
CID 54877701
N-(8-tricyclo[5.2.1.02,6]decanyl)propane-2-sulfonamide
CID 61355860
N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide
CID 61355861
N-(8-tricyclo[5.2.1.02,6]decanyl)propane-1-sulfonamide
CID 61383832
3-(8-Tricyclo[5.2.1.02,6]decanylamino)propane-1-sulfonamide
CID 61901392
1-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)methanesulfonamide
CID 63664949
3-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1-sulfonamide
CID 64494589
3-chloro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propane-1-sulfonamide
CID 79585492
3-chloro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1-sulfonamide
CID 79585713
1-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)methanesulfonamide
CID 83084783
2-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide
CID 107652037

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide (CID 107651448) is 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide is O=S(=O)(CCCl)NC1CC2CC1C1CCCC21.
What is the InChIKey of 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide?
The InChIKey is GQBYXYJXPMKJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2S/c13-4-5-17(15,16)14-12-7-8-6-11(12)10-3-1-2-9(8)10/h8-12,14H,1-7H2.
What are the key properties of 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide?
2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide has a molecular weight of 277.82 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide is sourced from PubChem (CID 107651448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).