N-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide

C13H21NO3S — CID 2904734

IUPACN-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H21NO3S/c1-9-6-10(2)13(11(3)7-9)18(15,16)14-12(4)8-17-5/h6-7,12,14H,8H2,1-5H3
InChIKeyAPWGJZFMESDRMA-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.93
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide

N-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 2904734) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID2904734
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H21NO3S/c1-9-6-10(2)13(11(3)7-9)18(15,16)14-12(4)8-17-5/h6-7,12,14H,8H2,1-5H3
InChIKeyAPWGJZFMESDRMA-UHFFFAOYSA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide (CID 2904734) is N-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide is COCC(C)NS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is APWGJZFMESDRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-9-6-10(2)13(11(3)7-9)18(15,16)14-12(4)8-17-5/h6-7,12,14H,8H2,1-5H3.
What are the key properties of N-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide?
N-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 2904734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).