N-(3-methoxyphenyl)methanesulfonamide

C8H11NO3S — CID 852358

IUPACN-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C8H11NO3S/c1-12-8-5-3-4-7(6-8)9-13(2,10)11/h3-6,9H,1-2H3
InChIKeySIDNNIWJYGJTCH-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.07
Rot. Bonds3

About N-(3-methoxyphenyl)methanesulfonamide

N-(3-methoxyphenyl)methanesulfonamide (PubChem CID 852358) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-(3-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)methanesulfonamide
PubChem CID852358
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC NameN-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C8H11NO3S/c1-12-8-5-3-4-7(6-8)9-13(2,10)11/h3-6,9H,1-2H3
InChIKeySIDNNIWJYGJTCH-UHFFFAOYSA-N
XLogP1.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-(3-methoxyphenyl)methanesulfonamide (CID 852358) is N-(3-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)methanesulfonamide is COc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)methanesulfonamide?
The InChIKey is SIDNNIWJYGJTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-12-8-5-3-4-7(6-8)9-13(2,10)11/h3-6,9H,1-2H3.
What are the key properties of N-(3-methoxyphenyl)methanesulfonamide?
N-(3-methoxyphenyl)methanesulfonamide has a molecular weight of 201.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 852358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).