N-(2-formyl-4-methoxyphenyl)methanesulfonamide

C9H11NO4S — CID 131493986

IUPACN-(2-formyl-4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)c(C=O)c1
InChIInChI=1S/C9H11NO4S/c1-14-8-3-4-9(7(5-8)6-11)10-15(2,12)13/h3-6,10H,1-2H3
InChIKeyNHNYMEZMMZFMJR-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.88
Rot. Bonds4

About N-(2-formyl-4-methoxyphenyl)methanesulfonamide

N-(2-formyl-4-methoxyphenyl)methanesulfonamide (PubChem CID 131493986) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is N-(2-formyl-4-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-formyl-4-methoxyphenyl)methanesulfonamide
PubChem CID131493986
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC NameN-(2-formyl-4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)c(C=O)c1
InChIInChI=1S/C9H11NO4S/c1-14-8-3-4-9(7(5-8)6-11)10-15(2,12)13/h3-6,10H,1-2H3
InChIKeyNHNYMEZMMZFMJR-UHFFFAOYSA-N
XLogP0.88
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 168515675
2-formyl-4-methoxybenzenesulfonamide
CID 102084002
N-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide
CID 168545331
N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide
CID 20504403
N-(5-methoxy-2-phenoxyphenyl)methanesulfonamide
CID 10803650
4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide
CID 154101050
5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde
CID 152554921
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide
CID 135960004
N-[4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-formylphenyl]methanesulfonamide
CID 14423812
4-methoxy-2-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170496009
N-[2-(4-methoxyphenyl)phenyl]methanesulfonamide
CID 23508536

Frequently Asked Questions

What is the IUPAC name of N-(2-formyl-4-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-(2-formyl-4-methoxyphenyl)methanesulfonamide (CID 131493986) is N-(2-formyl-4-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-formyl-4-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(2-formyl-4-methoxyphenyl)methanesulfonamide is COc1ccc(NS(C)(=O)=O)c(C=O)c1.
What is the InChIKey of N-(2-formyl-4-methoxyphenyl)methanesulfonamide?
The InChIKey is NHNYMEZMMZFMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-14-8-3-4-9(7(5-8)6-11)10-15(2,12)13/h3-6,10H,1-2H3.
What are the key properties of N-(2-formyl-4-methoxyphenyl)methanesulfonamide?
N-(2-formyl-4-methoxyphenyl)methanesulfonamide has a molecular weight of 229.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formyl-4-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 131493986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).