2-(4-chloroanilino)ethanesulfonyl fluoride

C8H9ClFNO2S — CID 5092096

IUPAC2-(4-chloroanilino)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCNc1ccc(Cl)cc1
InChIInChI=1S/C8H9ClFNO2S/c9-7-1-3-8(4-2-7)11-5-6-14(10,12)13/h1-4,11H,5-6H2
InChIKeyCGOLYKYEMVDHPM-UHFFFAOYSA-N
MW237.68 g/mol
LogP2.05
Rot. Bonds4

About 2-(4-chloroanilino)ethanesulfonyl fluoride

2-(4-chloroanilino)ethanesulfonyl fluoride (PubChem CID 5092096) has the molecular formula C8H9ClFNO2S and a molecular weight of 237.68 g/mol. Its IUPAC name is 2-(4-chloroanilino)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(4-chloroanilino)ethanesulfonyl fluoride
PubChem CID5092096
Molecular FormulaC8H9ClFNO2S
Molecular Weight237.68 g/mol
Exact Mass237.00
IUPAC Name2-(4-chloroanilino)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCNc1ccc(Cl)cc1
InChIInChI=1S/C8H9ClFNO2S/c9-7-1-3-8(4-2-7)11-5-6-14(10,12)13/h1-4,11H,5-6H2
InChIKeyCGOLYKYEMVDHPM-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)ethanesulfonyl fluoride?
The IUPAC name of 2-(4-chloroanilino)ethanesulfonyl fluoride (CID 5092096) is 2-(4-chloroanilino)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(4-chloroanilino)ethanesulfonyl fluoride?
The canonical SMILES for 2-(4-chloroanilino)ethanesulfonyl fluoride is O=S(=O)(F)CCNc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)ethanesulfonyl fluoride?
The InChIKey is CGOLYKYEMVDHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2S/c9-7-1-3-8(4-2-7)11-5-6-14(10,12)13/h1-4,11H,5-6H2.
What are the key properties of 2-(4-chloroanilino)ethanesulfonyl fluoride?
2-(4-chloroanilino)ethanesulfonyl fluoride has a molecular weight of 237.68 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)ethanesulfonyl fluoride is sourced from PubChem (CID 5092096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).