4-[formyl(methyl)amino]benzenesulfonyl chloride

C8H8ClNO3S — CID 43154622

IUPAC4-[formyl(methyl)amino]benzenesulfonyl chloride
SMILESCN(C=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H8ClNO3S/c1-10(6-11)7-2-4-8(5-3-7)14(9,12)13/h2-6H,1H3
InChIKeyAYJALVNUJXJFMH-UHFFFAOYSA-N
MW233.68 g/mol
LogP1.21
Rot. Bonds3

About 4-[formyl(methyl)amino]benzenesulfonyl chloride

4-[formyl(methyl)amino]benzenesulfonyl chloride (PubChem CID 43154622) has the molecular formula C8H8ClNO3S and a molecular weight of 233.68 g/mol. Its IUPAC name is 4-[formyl(methyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[formyl(methyl)amino]benzenesulfonyl chloride
PubChem CID43154622
Molecular FormulaC8H8ClNO3S
Molecular Weight233.68 g/mol
Exact Mass232.99
IUPAC Name4-[formyl(methyl)amino]benzenesulfonyl chloride
SMILESCN(C=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H8ClNO3S/c1-10(6-11)7-2-4-8(5-3-7)14(9,12)13/h2-6H,1H3
InChIKeyAYJALVNUJXJFMH-UHFFFAOYSA-N
XLogP1.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[formyl(methyl)amino]benzenesulfonyl chloride?
The IUPAC name of 4-[formyl(methyl)amino]benzenesulfonyl chloride (CID 43154622) is 4-[formyl(methyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[formyl(methyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 4-[formyl(methyl)amino]benzenesulfonyl chloride is CN(C=O)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[formyl(methyl)amino]benzenesulfonyl chloride?
The InChIKey is AYJALVNUJXJFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3S/c1-10(6-11)7-2-4-8(5-3-7)14(9,12)13/h2-6H,1H3.
What are the key properties of 4-[formyl(methyl)amino]benzenesulfonyl chloride?
4-[formyl(methyl)amino]benzenesulfonyl chloride has a molecular weight of 233.68 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[formyl(methyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 43154622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).