N-[(4-methoxyphenyl)methyl]methanesulfonamide

C9H13NO3S — CID 669028

IUPACN-[(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CNS(C)(=O)=O)cc1
InChIInChI=1S/C9H13NO3S/c1-13-9-5-3-8(4-6-9)7-10-14(2,11)12/h3-6,10H,7H2,1-2H3
InChIKeyOFSFIXASTARXSY-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.74
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]methanesulfonamide

N-[(4-methoxyphenyl)methyl]methanesulfonamide (PubChem CID 669028) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]methanesulfonamide
PubChem CID669028
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-[(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CNS(C)(=O)=O)cc1
InChIInChI=1S/C9H13NO3S/c1-13-9-5-3-8(4-6-9)7-10-14(2,11)12/h3-6,10H,7H2,1-2H3
InChIKeyOFSFIXASTARXSY-UHFFFAOYSA-N
XLogP0.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 4657
CID 4657
CID 123197
CID 123197
CID 75452
CID 75452
CID 21156
CID 21156
CID 808423
CID 808423
CID 571846
CID 571846
CID 793467
CID 793467
CID 736827
CID 736827
CID 2760343
CID 2760343
CID 81292
CID 81292
CID 238181
CID 238181
CID 485407
CID 485407

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]methanesulfonamide (CID 669028) is N-[(4-methoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]methanesulfonamide is COc1ccc(CNS(C)(=O)=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The InChIKey is OFSFIXASTARXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-13-9-5-3-8(4-6-9)7-10-14(2,11)12/h3-6,10H,7H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]methanesulfonamide?
N-[(4-methoxyphenyl)methyl]methanesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 669028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).