5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C16H20N2O3S — CID 977109

IUPAC5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCc2cccnc2)c(C)cc1C
InChIInChI=1S/C16H20N2O3S/c1-4-21-15-9-16(13(3)8-12(15)2)22(19,20)18-11-14-6-5-7-17-10-14/h5-10,18H,4,11H2,1-3H3
InChIKeyMQEHBACYIBJKOF-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.58
Rot. Bonds6

About 5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 977109) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID977109
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCc2cccnc2)c(C)cc1C
InChIInChI=1S/C16H20N2O3S/c1-4-21-15-9-16(13(3)8-12(15)2)22(19,20)18-11-14-6-5-7-17-10-14/h5-10,18H,4,11H2,1-3H3
InChIKeyMQEHBACYIBJKOF-UHFFFAOYSA-N
XLogP2.58
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6461722
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024
5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 40665032
7-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758904
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
CID 934715
5-amino-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79961726
5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110757909
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 27266270
5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758481
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 6473677

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 977109) is 5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is CCOc1cc(S(=O)(=O)NCc2cccnc2)c(C)cc1C.
What is the InChIKey of 5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is MQEHBACYIBJKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-21-15-9-16(13(3)8-12(15)2)22(19,20)18-11-14-6-5-7-17-10-14/h5-10,18H,4,11H2,1-3H3.
What are the key properties of 5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 977109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).