N-(5-chloro-2-pyridinyl)-2,4,6-trimethylbenzenesulfonamide

C14H15ClN2O2S — CID 798643

IUPACN-(5-chloro-2-pyridinyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c1
InChIInChI=1S/C14H15ClN2O2S/c1-9-6-10(2)14(11(3)7-9)20(18,19)17-13-5-4-12(15)8-16-13/h4-8H,1-3H3,(H,16,17)
InChIKeyXZUJJEKUEVIAIW-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.46
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2,4,6-trimethylbenzenesulfonamide

N-(5-chloro-2-pyridinyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 798643) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID798643
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-(5-chloro-2-pyridinyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c1
InChIInChI=1S/C14H15ClN2O2S/c1-9-6-10(2)14(11(3)7-9)20(18,19)17-13-5-4-12(15)8-16-13/h4-8H,1-3H3,(H,16,17)
InChIKeyXZUJJEKUEVIAIW-UHFFFAOYSA-N
XLogP3.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2,4,6-trimethylbenzenesulfonamide (CID 798643) is N-(5-chloro-2-pyridinyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is XZUJJEKUEVIAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9-6-10(2)14(11(3)7-9)20(18,19)17-13-5-4-12(15)8-16-13/h4-8H,1-3H3,(H,16,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-2,4,6-trimethylbenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 798643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).