3-(3-chlorophenyl)sulfonylpropan-1-amine

C9H12ClNO2S — CID 28753143

IUPAC3-(3-chlorophenyl)sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO2S/c10-8-3-1-4-9(7-8)14(12,13)6-2-5-11/h1,3-4,7H,2,5-6,11H2
InChIKeyXWHRHUYVAPEUBT-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.46
Rot. Bonds4

About 3-(3-chlorophenyl)sulfonylpropan-1-amine

3-(3-chlorophenyl)sulfonylpropan-1-amine (PubChem CID 28753143) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonylpropan-1-amine
PubChem CID28753143
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name3-(3-chlorophenyl)sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO2S/c10-8-3-1-4-9(7-8)14(12,13)6-2-5-11/h1,3-4,7H,2,5-6,11H2
InChIKeyXWHRHUYVAPEUBT-UHFFFAOYSA-N
XLogP1.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(4-chlorophenyl)sulfonylpentan-1-amine
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CID 5128073
N-(3-chlorophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
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2-(3-chlorophenyl)sulfonyl-1-phenylethanamine
CID 64675228
[3-(3-fluoropropylsulfonyl)phenyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonylpropan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfonylpropan-1-amine (CID 28753143) is 3-(3-chlorophenyl)sulfonylpropan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonylpropan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfonylpropan-1-amine is NCCCS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonylpropan-1-amine?
The InChIKey is XWHRHUYVAPEUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c10-8-3-1-4-9(7-8)14(12,13)6-2-5-11/h1,3-4,7H,2,5-6,11H2.
What are the key properties of 3-(3-chlorophenyl)sulfonylpropan-1-amine?
3-(3-chlorophenyl)sulfonylpropan-1-amine has a molecular weight of 233.72 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonylpropan-1-amine is sourced from PubChem (CID 28753143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).