3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide

C9H13Cl2NO2S2 — CID 106041745

IUPAC3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCCc1ccc(Cl)s1
InChIInChI=1S/C9H13Cl2NO2S2/c10-5-1-7-16(13,14)12-6-4-8-2-3-9(11)15-8/h2-3,12H,1,4-7H2
InChIKeyXZVJYVXPGDWTLL-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.49
Rot. Bonds7

About 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide

3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide (PubChem CID 106041745) has the molecular formula C9H13Cl2NO2S2 and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide
PubChem CID106041745
Molecular FormulaC9H13Cl2NO2S2
Molecular Weight302.25 g/mol
Exact Mass300.98
IUPAC Name3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCCc1ccc(Cl)s1
InChIInChI=1S/C9H13Cl2NO2S2/c10-5-1-7-16(13,14)12-6-4-8-2-3-9(11)15-8/h2-3,12H,1,4-7H2
InChIKeyXZVJYVXPGDWTLL-UHFFFAOYSA-N
XLogP2.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114142728
4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid
CID 106033208
2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid
CID 73356503
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine
CID 106046353
N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide
CID 47071854
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 114139001
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 113225799
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide
CID 106035235
5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide
CID 106034935
N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide
CID 106048154
5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide
CID 106050572
2-(5-chlorothiophen-2-yl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 114140350

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide (CID 106041745) is 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide is O=S(=O)(CCCCl)NCCc1ccc(Cl)s1.
What is the InChIKey of 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide?
The InChIKey is XZVJYVXPGDWTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NO2S2/c10-5-1-7-16(13,14)12-6-4-8-2-3-9(11)15-8/h2-3,12H,1,4-7H2.
What are the key properties of 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide?
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide has a molecular weight of 302.25 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 106041745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).