2-methoxy-N,N,4-trimethyl-5-propan-2-ylbenzenesulfonamide

C13H21NO3S — CID 16644736

IUPAC2-methoxy-N,N,4-trimethyl-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H21NO3S/c1-9(2)11-8-13(18(15,16)14(4)5)12(17-6)7-10(11)3/h7-9H,1-6H3
InChIKeyTURXIUFQZNIARO-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.38
Rot. Bonds4

About 2-methoxy-N,N,4-trimethyl-5-propan-2-ylbenzenesulfonamide

2-methoxy-N,N,4-trimethyl-5-propan-2-ylbenzenesulfonamide (PubChem CID 16644736) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-methoxy-N,N,4-trimethyl-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,N,4-trimethyl-5-propan-2-ylbenzenesulfonamide
PubChem CID16644736
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-methoxy-N,N,4-trimethyl-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H21NO3S/c1-9(2)11-8-13(18(15,16)14(4)5)12(17-6)7-10(11)3/h7-9H,1-6H3
InChIKeyTURXIUFQZNIARO-UHFFFAOYSA-N
XLogP2.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N,4-trimethyl-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N,N,4-trimethyl-5-propan-2-ylbenzenesulfonamide (CID 16644736) is 2-methoxy-N,N,4-trimethyl-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,N,4-trimethyl-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N,N,4-trimethyl-5-propan-2-ylbenzenesulfonamide is COc1cc(C)c(C(C)C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-methoxy-N,N,4-trimethyl-5-propan-2-ylbenzenesulfonamide?
The InChIKey is TURXIUFQZNIARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-9(2)11-8-13(18(15,16)14(4)5)12(17-6)7-10(11)3/h7-9H,1-6H3.
What are the key properties of 2-methoxy-N,N,4-trimethyl-5-propan-2-ylbenzenesulfonamide?
2-methoxy-N,N,4-trimethyl-5-propan-2-ylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N,4-trimethyl-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 16644736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).