N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide

C14H15ClN2O3S — CID 2301906

IUPACN-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H15ClN2O3S/c1-3-20-12-6-4-10(2)8-13(12)21(18,19)17-14-7-5-11(15)9-16-14/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyBKAMWGZCZHKCFZ-UHFFFAOYSA-N
MW326.81 g/mol
LogP3.24
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide

N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide (PubChem CID 2301906) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide
PubChem CID2301906
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC NameN-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H15ClN2O3S/c1-3-20-12-6-4-10(2)8-13(12)21(18,19)17-14-7-5-11(15)9-16-14/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyBKAMWGZCZHKCFZ-UHFFFAOYSA-N
XLogP3.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide (CID 2301906) is N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide is CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide?
The InChIKey is BKAMWGZCZHKCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-3-20-12-6-4-10(2)8-13(12)21(18,19)17-14-7-5-11(15)9-16-14/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 2301906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).