4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide

C17H22N2O3S — CID 2986731

IUPAC4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ccccn2)cc1C(C)C
InChIInChI=1S/C17H22N2O3S/c1-5-22-15-10-13(4)16(11-14(15)12(2)3)23(20,21)19-17-8-6-7-9-18-17/h6-12H,5H2,1-4H3,(H,18,19)
InChIKeyYJAIUKZRFNRUTI-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.71
Rot. Bonds6

About 4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide

4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 2986731) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID2986731
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ccccn2)cc1C(C)C
InChIInChI=1S/C17H22N2O3S/c1-5-22-15-10-13(4)16(11-14(15)12(2)3)23(20,21)19-17-8-6-7-9-18-17/h6-12H,5H2,1-4H3,(H,18,19)
InChIKeyYJAIUKZRFNRUTI-UHFFFAOYSA-N
XLogP3.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986032
2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide
CID 2991807
2,4-dimethyl-5-propoxy-N-pyridin-2-ylbenzenesulfonamide
CID 15943748
4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644702
4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6461722
N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39847542
4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 106996553
N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 653931
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 6473677
2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide
CID 136574217
1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide
CID 122150658
2,3,4,5-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644704

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide (CID 2986731) is 4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)Nc2ccccn2)cc1C(C)C.
What is the InChIKey of 4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is YJAIUKZRFNRUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-5-22-15-10-13(4)16(11-14(15)12(2)3)23(20,21)19-17-8-6-7-9-18-17/h6-12H,5H2,1-4H3,(H,18,19).
What are the key properties of 4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide?
4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.71, 6 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-2-ylbenzenesulfonamide is sourced from PubChem (CID 2986731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).