2-(4-chlorophenyl)sulfonylethanamine

C8H10ClNO2S — CID 2794195

IUPAC2-(4-chlorophenyl)sulfonylethanamine
SMILESNCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,5-6,10H2
InChIKeyDFTUTJWZDJHCGI-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.07
Rot. Bonds3

About 2-(4-chlorophenyl)sulfonylethanamine

2-(4-chlorophenyl)sulfonylethanamine (PubChem CID 2794195) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonylethanamine
PubChem CID2794195
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name2-(4-chlorophenyl)sulfonylethanamine
SMILESNCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,5-6,10H2
InChIKeyDFTUTJWZDJHCGI-UHFFFAOYSA-N
XLogP1.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonylethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfonylethanamine (CID 2794195) is 2-(4-chlorophenyl)sulfonylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonylethanamine is NCCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonylethanamine?
The InChIKey is DFTUTJWZDJHCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,5-6,10H2.
What are the key properties of 2-(4-chlorophenyl)sulfonylethanamine?
2-(4-chlorophenyl)sulfonylethanamine has a molecular weight of 219.69 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonylethanamine is sourced from PubChem (CID 2794195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).