7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride

C7H4Cl2N2O2S — CID 91619175

IUPAC7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2c(Cl)nccc12
InChIInChI=1S/C7H4Cl2N2O2S/c8-7-6-4(1-2-10-7)5(3-11-6)14(9,12)13/h1-3,11H
InChIKeyLFPUMWIBPJUSOA-UHFFFAOYSA-N
MW251.09 g/mol
LogP2.14
Rot. Bonds1

About 7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride

7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride (PubChem CID 91619175) has the molecular formula C7H4Cl2N2O2S and a molecular weight of 251.09 g/mol. Its IUPAC name is 7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride
PubChem CID91619175
Molecular FormulaC7H4Cl2N2O2S
Molecular Weight251.09 g/mol
Exact Mass249.94
IUPAC Name7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2c(Cl)nccc12
InChIInChI=1S/C7H4Cl2N2O2S/c8-7-6-4(1-2-10-7)5(3-11-6)14(9,12)13/h1-3,11H
InChIKeyLFPUMWIBPJUSOA-UHFFFAOYSA-N
XLogP2.14
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride?
The IUPAC name of 7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride (CID 91619175) is 7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride.
What is the SMILES notation for 7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride?
The canonical SMILES for 7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1c[nH]c2c(Cl)nccc12.
What is the InChIKey of 7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride?
The InChIKey is LFPUMWIBPJUSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O2S/c8-7-6-4(1-2-10-7)5(3-11-6)14(9,12)13/h1-3,11H.
What are the key properties of 7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride?
7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride has a molecular weight of 251.09 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride is sourced from PubChem (CID 91619175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).