2-formyl-4-methoxybenzenesulfonamide

C8H9NO4S — CID 102084002

IUPAC2-formyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)c(C=O)c1
InChIInChI=1S/C8H9NO4S/c1-13-7-2-3-8(14(9,11)12)6(4-7)5-10/h2-5H,1H3,(H2,9,11,12)
InChIKeyMYOUZFYGNUQJBM-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.16
Rot. Bonds3

About 2-formyl-4-methoxybenzenesulfonamide

2-formyl-4-methoxybenzenesulfonamide (PubChem CID 102084002) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-formyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-formyl-4-methoxybenzenesulfonamide
PubChem CID102084002
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name2-formyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)c(C=O)c1
InChIInChI=1S/C8H9NO4S/c1-13-7-2-3-8(14(9,11)12)6(4-7)5-10/h2-5H,1H3,(H2,9,11,12)
InChIKeyMYOUZFYGNUQJBM-UHFFFAOYSA-N
XLogP0.16
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.16
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

4-methoxy-2-propan-2-yloxybenzenesulfonamide
CID 69224497
2-(hydroxymethyl)-4-methoxybenzenesulfonamide
CID 67168933
N-(2-formyl-4-methoxyphenyl)methanesulfonamide
CID 131493986
4-formyl-6-methoxypyridine-3-sulfonamide
CID 130511506
2-isocyanato-4-methoxybenzenesulfonamide
CID 141019854
2-cyclohexyloxy-4-methoxybenzenesulfonamide
CID 69224689
2-amino-4-(3-methoxyphenoxy)benzenesulfonamide
CID 79467005
2-(aminooxymethyl)-5-methoxybenzaldehyde
CID 117278594
3-fluoro-2-formyl-5-methoxybenzenesulfonamide
CID 89218777
(2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 8633901
5-methoxy-2-pyrrol-1-ylbenzaldehyde
CID 121010613
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864

Frequently Asked Questions

What is the IUPAC name of 2-formyl-4-methoxybenzenesulfonamide?
The IUPAC name of 2-formyl-4-methoxybenzenesulfonamide (CID 102084002) is 2-formyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-formyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-formyl-4-methoxybenzenesulfonamide is COc1ccc(S(N)(=O)=O)c(C=O)c1.
What is the InChIKey of 2-formyl-4-methoxybenzenesulfonamide?
The InChIKey is MYOUZFYGNUQJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-13-7-2-3-8(14(9,11)12)6(4-7)5-10/h2-5H,1H3,(H2,9,11,12).
What are the key properties of 2-formyl-4-methoxybenzenesulfonamide?
2-formyl-4-methoxybenzenesulfonamide has a molecular weight of 215.23 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 102084002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).