N-(2-methoxy-5-methylphenyl)-2-methylpropane-1-sulfonamide

C12H19NO3S — CID 897840

IUPACN-(2-methoxy-5-methylphenyl)-2-methylpropane-1-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)CC(C)C
InChIInChI=1S/C12H19NO3S/c1-9(2)8-17(14,15)13-11-7-10(3)5-6-12(11)16-4/h5-7,9,13H,8H2,1-4H3
InChIKeyYJFGNBXMYYWSHU-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.40
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-2-methylpropane-1-sulfonamide

N-(2-methoxy-5-methylphenyl)-2-methylpropane-1-sulfonamide (PubChem CID 897840) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-methylpropane-1-sulfonamide
PubChem CID897840
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-methylpropane-1-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)CC(C)C
InChIInChI=1S/C12H19NO3S/c1-9(2)8-17(14,15)13-11-7-10(3)5-6-12(11)16-4/h5-7,9,13H,8H2,1-4H3
InChIKeyYJFGNBXMYYWSHU-UHFFFAOYSA-N
XLogP2.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-methylpropane-1-sulfonamide (CID 897840) is N-(2-methoxy-5-methylphenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-methylpropane-1-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)CC(C)C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is YJFGNBXMYYWSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9(2)8-17(14,15)13-11-7-10(3)5-6-12(11)16-4/h5-7,9,13H,8H2,1-4H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-methylpropane-1-sulfonamide?
N-(2-methoxy-5-methylphenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 897840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).