N-(2-methoxy-5-methylphenyl)methanesulfonamide

C9H13NO3S — CID 830183

IUPACN-(2-methoxy-5-methylphenyl)methanesulfonamide
SMILESCOc1ccc(C)cc1NS(C)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-7-4-5-9(13-2)8(6-7)10-14(3,11)12/h4-6,10H,1-3H3
InChIKeyRPQXKLQQEIMKTQ-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.38
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)methanesulfonamide

N-(2-methoxy-5-methylphenyl)methanesulfonamide (PubChem CID 830183) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)methanesulfonamide
PubChem CID830183
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-(2-methoxy-5-methylphenyl)methanesulfonamide
SMILESCOc1ccc(C)cc1NS(C)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-7-4-5-9(13-2)8(6-7)10-14(3,11)12/h4-6,10H,1-3H3
InChIKeyRPQXKLQQEIMKTQ-UHFFFAOYSA-N
XLogP1.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.38
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)methanesulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)methanesulfonamide (CID 830183) is N-(2-methoxy-5-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)methanesulfonamide is COc1ccc(C)cc1NS(C)(=O)=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)methanesulfonamide?
The InChIKey is RPQXKLQQEIMKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-7-4-5-9(13-2)8(6-7)10-14(3,11)12/h4-6,10H,1-3H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)methanesulfonamide?
N-(2-methoxy-5-methylphenyl)methanesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 1.38, 3 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)methanesulfonamide is sourced from PubChem (CID 830183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).