5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide

C14H15ClN2O3S — CID 6472631

IUPAC5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C14H15ClN2O3S/c1-3-20-13-7-10(2)12(15)8-14(13)21(18,19)17-11-5-4-6-16-9-11/h4-9,17H,3H2,1-2H3
InChIKeySVOUJIKMNRIVIS-UHFFFAOYSA-N
MW326.81 g/mol
LogP3.24
Rot. Bonds5

About 5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide

5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 6472631) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID6472631
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C14H15ClN2O3S/c1-3-20-13-7-10(2)12(15)8-14(13)21(18,19)17-11-5-4-6-16-9-11/h4-9,17H,3H2,1-2H3
InChIKeySVOUJIKMNRIVIS-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 5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide (CID 6472631) is 5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide is CCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is SVOUJIKMNRIVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-3-20-13-7-10(2)12(15)8-14(13)21(18,19)17-11-5-4-6-16-9-11/h4-9,17H,3H2,1-2H3.
What are the key properties of 5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide?
5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide 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 5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 6472631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).