N-(3-chloro-4-methyl-2-pyridinyl)-N-methylmethanesulfonamide

C8H11ClN2O2S — CID 167047817

IUPACN-(3-chloro-4-methyl-2-pyridinyl)-N-methylmethanesulfonamide
SMILESCc1ccnc(N(C)S(C)(=O)=O)c1Cl
InChIInChI=1S/C8H11ClN2O2S/c1-6-4-5-10-8(7(6)9)11(2)14(3,12)13/h4-5H,1-3H3
InChIKeyPOKVUYYKRZIVEB-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.44
Rot. Bonds2

About N-(3-chloro-4-methyl-2-pyridinyl)-N-methylmethanesulfonamide

N-(3-chloro-4-methyl-2-pyridinyl)-N-methylmethanesulfonamide (PubChem CID 167047817) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is N-(3-chloro-4-methyl-2-pyridinyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methyl-2-pyridinyl)-N-methylmethanesulfonamide
PubChem CID167047817
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC NameN-(3-chloro-4-methyl-2-pyridinyl)-N-methylmethanesulfonamide
SMILESCc1ccnc(N(C)S(C)(=O)=O)c1Cl
InChIInChI=1S/C8H11ClN2O2S/c1-6-4-5-10-8(7(6)9)11(2)14(3,12)13/h4-5H,1-3H3
InChIKeyPOKVUYYKRZIVEB-UHFFFAOYSA-N
XLogP1.44
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methyl-2-pyridinyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(3-chloro-4-methyl-2-pyridinyl)-N-methylmethanesulfonamide (CID 167047817) is N-(3-chloro-4-methyl-2-pyridinyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methyl-2-pyridinyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(3-chloro-4-methyl-2-pyridinyl)-N-methylmethanesulfonamide is Cc1ccnc(N(C)S(C)(=O)=O)c1Cl.
What is the InChIKey of N-(3-chloro-4-methyl-2-pyridinyl)-N-methylmethanesulfonamide?
The InChIKey is POKVUYYKRZIVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-6-4-5-10-8(7(6)9)11(2)14(3,12)13/h4-5H,1-3H3.
What are the key properties of N-(3-chloro-4-methyl-2-pyridinyl)-N-methylmethanesulfonamide?
N-(3-chloro-4-methyl-2-pyridinyl)-N-methylmethanesulfonamide has a molecular weight of 234.71 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methyl-2-pyridinyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 167047817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).