5-tert-butyl-2-ethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide

C18H24N2O3S — CID 15944006

IUPAC5-tert-butyl-2-ethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ncccc1C
InChIInChI=1S/C18H24N2O3S/c1-6-23-15-10-9-14(18(3,4)5)12-16(15)24(21,22)20-17-13(2)8-7-11-19-17/h7-12H,6H2,1-5H3,(H,19,20)
InChIKeyMSLKSBSKUGPURD-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.89
Rot. Bonds5

About 5-tert-butyl-2-ethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide

5-tert-butyl-2-ethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 15944006) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-tert-butyl-2-ethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-2-ethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID15944006
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name5-tert-butyl-2-ethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ncccc1C
InChIInChI=1S/C18H24N2O3S/c1-6-23-15-10-9-14(18(3,4)5)12-16(15)24(21,22)20-17-13(2)8-7-11-19-17/h7-12H,6H2,1-5H3,(H,19,20)
InChIKeyMSLKSBSKUGPURD-UHFFFAOYSA-N
XLogP3.89
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-pyridin-2-ylnaphthalene-2-sulfonamide
CID 747350
N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2812532
4-Methoxy-naphthalene-1-sulfonic acid (3-methyl-pyridin-2-yl)-amide
CID 2992209
6-[2-(4-Methoxyphenyl)ethylamino]pyridine-3-sulfonamide
CID 9405815
N-(5-Chloro-pyridin-2-yl)-5-isopropyl-2-methoxy-benzenesulfonamide
CID 648225
2-methoxy-5-propan-2-yl-N-(2-pyridinyl)benzenesulfonamide
CID 977116
2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 934901
4-ethoxy-N-(3-methylpyridin-2-yl)naphthalene-1-sulfonamide
CID 1073731
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzenesulfonamide
CID 53312065
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzenesulfonamide
CID 53312148
4-Methoxy-biphenyl-3-sulfonic acid pyridin-3-ylamide
CID 56684231
3-(6-Methoxy-3-pyridyl)-5-(4-morpholinosulfonylphenyl)pyridin-2-amine
CID 68305342

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-tert-butyl-2-ethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide (CID 15944006) is 5-tert-butyl-2-ethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-2-ethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-tert-butyl-2-ethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide is CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ncccc1C.
What is the InChIKey of 5-tert-butyl-2-ethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is MSLKSBSKUGPURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-6-23-15-10-9-14(18(3,4)5)12-16(15)24(21,22)20-17-13(2)8-7-11-19-17/h7-12H,6H2,1-5H3,(H,19,20).
What are the key properties of 5-tert-butyl-2-ethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
5-tert-butyl-2-ethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 15944006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).