N-(3-chloro-2-methyl-4-pyridinyl)-1-methylsulfonylcyclopentane-1-carboxamide

C13H17ClN2O3S — CID 91648473

IUPACN-(3-chloro-2-methyl-4-pyridinyl)-1-methylsulfonylcyclopentane-1-carboxamide
SMILESCc1nccc(NC(=O)C2(S(C)(=O)=O)CCCC2)c1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-9-11(14)10(5-8-15-9)16-12(17)13(20(2,18)19)6-3-4-7-13/h5,8H,3-4,6-7H2,1-2H3,(H,15,16,17)
InChIKeySYNBPUXRZQDXPS-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.34
Rot. Bonds3

About N-(3-chloro-2-methyl-4-pyridinyl)-1-methylsulfonylcyclopentane-1-carboxamide

N-(3-chloro-2-methyl-4-pyridinyl)-1-methylsulfonylcyclopentane-1-carboxamide (PubChem CID 91648473) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(3-chloro-2-methyl-4-pyridinyl)-1-methylsulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methyl-4-pyridinyl)-1-methylsulfonylcyclopentane-1-carboxamide
PubChem CID91648473
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC NameN-(3-chloro-2-methyl-4-pyridinyl)-1-methylsulfonylcyclopentane-1-carboxamide
SMILESCc1nccc(NC(=O)C2(S(C)(=O)=O)CCCC2)c1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-9-11(14)10(5-8-15-9)16-12(17)13(20(2,18)19)6-3-4-7-13/h5,8H,3-4,6-7H2,1-2H3,(H,15,16,17)
InChIKeySYNBPUXRZQDXPS-UHFFFAOYSA-N
XLogP2.34
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methyl-4-pyridinyl)-1-methylsulfonylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-chloro-2-methyl-4-pyridinyl)-1-methylsulfonylcyclopentane-1-carboxamide (CID 91648473) is N-(3-chloro-2-methyl-4-pyridinyl)-1-methylsulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methyl-4-pyridinyl)-1-methylsulfonylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-methyl-4-pyridinyl)-1-methylsulfonylcyclopentane-1-carboxamide is Cc1nccc(NC(=O)C2(S(C)(=O)=O)CCCC2)c1Cl.
What is the InChIKey of N-(3-chloro-2-methyl-4-pyridinyl)-1-methylsulfonylcyclopentane-1-carboxamide?
The InChIKey is SYNBPUXRZQDXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-9-11(14)10(5-8-15-9)16-12(17)13(20(2,18)19)6-3-4-7-13/h5,8H,3-4,6-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-(3-chloro-2-methyl-4-pyridinyl)-1-methylsulfonylcyclopentane-1-carboxamide?
N-(3-chloro-2-methyl-4-pyridinyl)-1-methylsulfonylcyclopentane-1-carboxamide has a molecular weight of 316.81 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methyl-4-pyridinyl)-1-methylsulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 91648473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).