1-(benzenesulfonyl)indole-2-carbonyl chloride

C15H10ClNO3S — CID 2776221

IUPAC1-(benzenesulfonyl)indole-2-carbonyl chloride
SMILESO=C(Cl)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H10ClNO3S/c16-15(18)14-10-11-6-4-5-9-13(11)17(14)21(19,20)12-7-2-1-3-8-12/h1-10H
InChIKeyMDDUSWMIZCDHNC-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.26
Rot. Bonds3

About 1-(benzenesulfonyl)indole-2-carbonyl chloride

1-(benzenesulfonyl)indole-2-carbonyl chloride (PubChem CID 2776221) has the molecular formula C15H10ClNO3S and a molecular weight of 319.77 g/mol. Its IUPAC name is 1-(benzenesulfonyl)indole-2-carbonyl chloride.

Molecular Properties

Compound Name1-(benzenesulfonyl)indole-2-carbonyl chloride
PubChem CID2776221
Molecular FormulaC15H10ClNO3S
Molecular Weight319.77 g/mol
Exact Mass319.01
IUPAC Name1-(benzenesulfonyl)indole-2-carbonyl chloride
SMILESO=C(Cl)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H10ClNO3S/c16-15(18)14-10-11-6-4-5-9-13(11)17(14)21(19,20)12-7-2-1-3-8-12/h1-10H
InChIKeyMDDUSWMIZCDHNC-UHFFFAOYSA-N
XLogP3.26
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)indole-2-carbonyl chloride?
The IUPAC name of 1-(benzenesulfonyl)indole-2-carbonyl chloride (CID 2776221) is 1-(benzenesulfonyl)indole-2-carbonyl chloride.
What is the SMILES notation for 1-(benzenesulfonyl)indole-2-carbonyl chloride?
The canonical SMILES for 1-(benzenesulfonyl)indole-2-carbonyl chloride is O=C(Cl)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)indole-2-carbonyl chloride?
The InChIKey is MDDUSWMIZCDHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3S/c16-15(18)14-10-11-6-4-5-9-13(11)17(14)21(19,20)12-7-2-1-3-8-12/h1-10H.
What are the key properties of 1-(benzenesulfonyl)indole-2-carbonyl chloride?
1-(benzenesulfonyl)indole-2-carbonyl chloride has a molecular weight of 319.77 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)indole-2-carbonyl chloride is sourced from PubChem (CID 2776221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).