4-methoxy-N,2,3,6-tetramethyl-N-[2-(4-methyl-1,3-dioxetan-2-yl)ethyl]benzenesulfonamide

C16H25NO5S — CID 87528108

IUPAC4-methoxy-N,2,3,6-tetramethyl-N-[2-(4-methyl-1,3-dioxetan-2-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCC2OC(C)O2)c(C)c1C
InChIInChI=1S/C16H25NO5S/c1-10-9-14(20-6)11(2)12(3)16(10)23(18,19)17(5)8-7-15-21-13(4)22-15/h9,13,15H,7-8H2,1-6H3
InChIKeyYTCKNIMIBXRGOW-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.35
Rot. Bonds6

About 4-methoxy-N,2,3,6-tetramethyl-N-[2-(4-methyl-1,3-dioxetan-2-yl)ethyl]benzenesulfonamide

4-methoxy-N,2,3,6-tetramethyl-N-[2-(4-methyl-1,3-dioxetan-2-yl)ethyl]benzenesulfonamide (PubChem CID 87528108) has the molecular formula C16H25NO5S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-methoxy-N,2,3,6-tetramethyl-N-[2-(4-methyl-1,3-dioxetan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,2,3,6-tetramethyl-N-[2-(4-methyl-1,3-dioxetan-2-yl)ethyl]benzenesulfonamide
PubChem CID87528108
Molecular FormulaC16H25NO5S
Molecular Weight343.45 g/mol
Exact Mass343.15
IUPAC Name4-methoxy-N,2,3,6-tetramethyl-N-[2-(4-methyl-1,3-dioxetan-2-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCC2OC(C)O2)c(C)c1C
InChIInChI=1S/C16H25NO5S/c1-10-9-14(20-6)11(2)12(3)16(10)23(18,19)17(5)8-7-15-21-13(4)22-15/h9,13,15H,7-8H2,1-6H3
InChIKeyYTCKNIMIBXRGOW-UHFFFAOYSA-N
XLogP2.35
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,3,6-tetramethyl-N-[2-(4-methyl-1,3-dioxetan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N,2,3,6-tetramethyl-N-[2-(4-methyl-1,3-dioxetan-2-yl)ethyl]benzenesulfonamide (CID 87528108) is 4-methoxy-N,2,3,6-tetramethyl-N-[2-(4-methyl-1,3-dioxetan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N,2,3,6-tetramethyl-N-[2-(4-methyl-1,3-dioxetan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,2,3,6-tetramethyl-N-[2-(4-methyl-1,3-dioxetan-2-yl)ethyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)CCC2OC(C)O2)c(C)c1C.
What is the InChIKey of 4-methoxy-N,2,3,6-tetramethyl-N-[2-(4-methyl-1,3-dioxetan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is YTCKNIMIBXRGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5S/c1-10-9-14(20-6)11(2)12(3)16(10)23(18,19)17(5)8-7-15-21-13(4)22-15/h9,13,15H,7-8H2,1-6H3.
What are the key properties of 4-methoxy-N,2,3,6-tetramethyl-N-[2-(4-methyl-1,3-dioxetan-2-yl)ethyl]benzenesulfonamide?
4-methoxy-N,2,3,6-tetramethyl-N-[2-(4-methyl-1,3-dioxetan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2,3,6-tetramethyl-N-[2-(4-methyl-1,3-dioxetan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 87528108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).