4-(1-formamidoethyl)benzenesulfonyl chloride

C9H10ClNO3S — CID 43135256

IUPAC4-(1-formamidoethyl)benzenesulfonyl chloride
SMILESCC(NC=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C9H10ClNO3S/c1-7(11-6-12)8-2-4-9(5-3-8)15(10,13)14/h2-7H,1H3,(H,11,12)
InChIKeyVYGXLUXUVBIUHE-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.42
Rot. Bonds4

About 4-(1-formamidoethyl)benzenesulfonyl chloride

4-(1-formamidoethyl)benzenesulfonyl chloride (PubChem CID 43135256) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is 4-(1-formamidoethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(1-formamidoethyl)benzenesulfonyl chloride
PubChem CID43135256
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name4-(1-formamidoethyl)benzenesulfonyl chloride
SMILESCC(NC=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C9H10ClNO3S/c1-7(11-6-12)8-2-4-9(5-3-8)15(10,13)14/h2-7H,1H3,(H,11,12)
InChIKeyVYGXLUXUVBIUHE-UHFFFAOYSA-N
XLogP1.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.42
H-Bond Donors ≤ 51
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-(1-formamidoethyl)benzenesulfonyl chloride?
The IUPAC name of 4-(1-formamidoethyl)benzenesulfonyl chloride (CID 43135256) is 4-(1-formamidoethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(1-formamidoethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(1-formamidoethyl)benzenesulfonyl chloride is CC(NC=O)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(1-formamidoethyl)benzenesulfonyl chloride?
The InChIKey is VYGXLUXUVBIUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c1-7(11-6-12)8-2-4-9(5-3-8)15(10,13)14/h2-7H,1H3,(H,11,12).
What are the key properties of 4-(1-formamidoethyl)benzenesulfonyl chloride?
4-(1-formamidoethyl)benzenesulfonyl chloride has a molecular weight of 247.70 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-formamidoethyl)benzenesulfonyl chloride is sourced from PubChem (CID 43135256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).