4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C18H24N2O3S — CID 6461722

IUPAC4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NCc2cccnc2)cc1C(C)C
InChIInChI=1S/C18H24N2O3S/c1-5-23-17-9-14(4)18(10-16(17)13(2)3)24(21,22)20-12-15-7-6-8-19-11-15/h6-11,13,20H,5,12H2,1-4H3
InChIKeyBSRUKBHZLKHLSN-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.39
Rot. Bonds7

About 4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 6461722) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID6461722
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NCc2cccnc2)cc1C(C)C
InChIInChI=1S/C18H24N2O3S/c1-5-23-17-9-14(4)18(10-16(17)13(2)3)24(21,22)20-12-15-7-6-8-19-11-15/h6-11,13,20H,5,12H2,1-4H3
InChIKeyBSRUKBHZLKHLSN-UHFFFAOYSA-N
XLogP3.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 977109
5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 40665032
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024
5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110757909
4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986731
5-amino-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79961726
4-methoxy-2-methyl-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 100530456
7-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758904
5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 20936463
5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758481
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 27266270

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 6461722) is 4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)NCc2cccnc2)cc1C(C)C.
What is the InChIKey of 4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is BSRUKBHZLKHLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-5-23-17-9-14(4)18(10-16(17)13(2)3)24(21,22)20-12-15-7-6-8-19-11-15/h6-11,13,20H,5,12H2,1-4H3.
What are the key properties of 4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 6461722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).