N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide

C13H19ClN2O2S2 — CID 43456155

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C13H19ClN2O2S2/c1-7(11-6-9-3-4-10(11)5-9)16-20(17,18)12-8(2)15-13(14)19-12/h7,9-11,16H,3-6H2,1-2H3
InChIKeyNQUYKMHGNDKFDI-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.21
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 43456155) has the molecular formula C13H19ClN2O2S2 and a molecular weight of 334.89 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID43456155
Molecular FormulaC13H19ClN2O2S2
Molecular Weight334.89 g/mol
Exact Mass334.06
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C13H19ClN2O2S2/c1-7(11-6-9-3-4-10(11)5-9)16-20(17,18)12-8(2)15-13(14)19-12/h7,9-11,16H,3-6H2,1-2H3
InChIKeyNQUYKMHGNDKFDI-UHFFFAOYSA-N
XLogP3.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide (CID 43456155) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is NQUYKMHGNDKFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S2/c1-7(11-6-9-3-4-10(11)5-9)16-20(17,18)12-8(2)15-13(14)19-12/h7,9-11,16H,3-6H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 334.89 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43456155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).