N-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide

C13H21NO3S — CID 2236048

IUPACN-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C13H21NO3S/c1-6-17-12-8-7-11(9-10(12)2)18(15,16)14-13(3,4)5/h7-9,14H,6H2,1-5H3
InChIKeyLMWRUYVVWVYPPG-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.47
Rot. Bonds4

About N-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide

N-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide (PubChem CID 2236048) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide
PubChem CID2236048
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C13H21NO3S/c1-6-17-12-8-7-11(9-10(12)2)18(15,16)14-13(3,4)5/h7-9,14H,6H2,1-5H3
InChIKeyLMWRUYVVWVYPPG-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide (CID 2236048) is N-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1C.
What is the InChIKey of N-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide?
The InChIKey is LMWRUYVVWVYPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-6-17-12-8-7-11(9-10(12)2)18(15,16)14-13(3,4)5/h7-9,14H,6H2,1-5H3.
What are the key properties of N-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide?
N-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 2236048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).