N-(2,2,2-trichloro-1-thiophen-2-ylethyl)benzenesulfonamide

C12H10Cl3NO2S2 — CID 3126751

IUPACN-(2,2,2-trichloro-1-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NC(c1cccs1)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C12H10Cl3NO2S2/c13-12(14,15)11(10-7-4-8-19-10)16-20(17,18)9-5-2-1-3-6-9/h1-8,11,16H
InChIKeyNNNLFBBUKQKHSN-UHFFFAOYSA-N
MW370.71 g/mol
LogP4.14
Rot. Bonds4

About N-(2,2,2-trichloro-1-thiophen-2-ylethyl)benzenesulfonamide

N-(2,2,2-trichloro-1-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 3126751) has the molecular formula C12H10Cl3NO2S2 and a molecular weight of 370.71 g/mol. Its IUPAC name is N-(2,2,2-trichloro-1-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trichloro-1-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID3126751
Molecular FormulaC12H10Cl3NO2S2
Molecular Weight370.71 g/mol
Exact Mass368.92
IUPAC NameN-(2,2,2-trichloro-1-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NC(c1cccs1)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C12H10Cl3NO2S2/c13-12(14,15)11(10-7-4-8-19-10)16-20(17,18)9-5-2-1-3-6-9/h1-8,11,16H
InChIKeyNNNLFBBUKQKHSN-UHFFFAOYSA-N
XLogP4.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.71
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trichloro-1-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of N-(2,2,2-trichloro-1-thiophen-2-ylethyl)benzenesulfonamide (CID 3126751) is N-(2,2,2-trichloro-1-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,2,2-trichloro-1-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(2,2,2-trichloro-1-thiophen-2-ylethyl)benzenesulfonamide is O=S(=O)(NC(c1cccs1)C(Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of N-(2,2,2-trichloro-1-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is NNNLFBBUKQKHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3NO2S2/c13-12(14,15)11(10-7-4-8-19-10)16-20(17,18)9-5-2-1-3-6-9/h1-8,11,16H.
What are the key properties of N-(2,2,2-trichloro-1-thiophen-2-ylethyl)benzenesulfonamide?
N-(2,2,2-trichloro-1-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 370.71 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trichloro-1-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3126751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).