5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide

C17H21ClN2O3S — CID 7574330

IUPAC5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H21ClN2O3S/c1-5-23-14-8-6-12(17(2,3)4)10-15(14)24(21,22)20-16-9-7-13(18)11-19-16/h6-11H,5H2,1-4H3,(H,19,20)
InChIKeyAJFBXLKRQLKINN-UHFFFAOYSA-N
MW368.89 g/mol
LogP4.23
Rot. Bonds5

About 5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide

5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide (PubChem CID 7574330) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is 5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide
PubChem CID7574330
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC Name5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H21ClN2O3S/c1-5-23-14-8-6-12(17(2,3)4)10-15(14)24(21,22)20-16-9-7-13(18)11-19-16/h6-11H,5H2,1-4H3,(H,19,20)
InChIKeyAJFBXLKRQLKINN-UHFFFAOYSA-N
XLogP4.23
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide
CID 6473352
N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 653931
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
N-(5-chloro-2-pyridinyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 6473185
5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65482063
5-chloro-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 9267841
5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide
CID 66485819
N-(5-chloro-2-pyridinyl)ethanesulfonamide
CID 6486787
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide
CID 138046171
N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide
CID 35202531
5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
CID 28893400

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide (CID 7574330) is 5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide is CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide?
The InChIKey is AJFBXLKRQLKINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-5-23-14-8-6-12(17(2,3)4)10-15(14)24(21,22)20-16-9-7-13(18)11-19-16/h6-11H,5H2,1-4H3,(H,19,20).
What are the key properties of 5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide?
5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide has a molecular weight of 368.89 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 7574330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).