N-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide

C11H17ClN2O2S — CID 75538658

IUPACN-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cnc(C)c(Cl)c1C
InChIInChI=1S/C11H17ClN2O2S/c1-4-5-6-17(15,16)14-10-7-13-9(3)11(12)8(10)2/h7,14H,4-6H2,1-3H3
InChIKeyQAOSSBADZVYIGK-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.89
Rot. Bonds5

About N-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide

N-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide (PubChem CID 75538658) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is N-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
PubChem CID75538658
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC NameN-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cnc(C)c(Cl)c1C
InChIInChI=1S/C11H17ClN2O2S/c1-4-5-6-17(15,16)14-10-7-13-9(3)11(12)8(10)2/h7,14H,4-6H2,1-3H3
InChIKeyQAOSSBADZVYIGK-UHFFFAOYSA-N
XLogP2.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide?
The IUPAC name of N-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide (CID 75538658) is N-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide.
What is the SMILES notation for N-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide?
The canonical SMILES for N-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cnc(C)c(Cl)c1C.
What is the InChIKey of N-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide?
The InChIKey is QAOSSBADZVYIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-4-5-6-17(15,16)14-10-7-13-9(3)11(12)8(10)2/h7,14H,4-6H2,1-3H3.
What are the key properties of N-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide?
N-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide has a molecular weight of 276.79 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide is sourced from PubChem (CID 75538658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).