N-[(1S)-2,2,2-trichloro-1-thiophen-2-ylethyl]benzenesulfonamide

C12H10Cl3NO2S2 — CID 1116511

IUPACN-[(1S)-2,2,2-trichloro-1-thiophen-2-ylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](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/t11-/m0/s1
InChIKeyNNNLFBBUKQKHSN-NSHDSACASA-N
MW370.71 g/mol
LogP4.14
Rot. Bonds4

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

N-[(1S)-2,2,2-trichloro-1-thiophen-2-ylethyl]benzenesulfonamide (PubChem CID 1116511) has the molecular formula C12H10Cl3NO2S2 and a molecular weight of 370.71 g/mol. Its IUPAC name is N-[(1S)-2,2,2-trichloro-1-thiophen-2-ylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2,2,2-trichloro-1-thiophen-2-ylethyl]benzenesulfonamide
PubChem CID1116511
Molecular FormulaC12H10Cl3NO2S2
Molecular Weight370.71 g/mol
Exact Mass368.92
IUPAC NameN-[(1S)-2,2,2-trichloro-1-thiophen-2-ylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](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/t11-/m0/s1
InChIKeyNNNLFBBUKQKHSN-NSHDSACASA-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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Related Compounds

N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide
CID 11760285
N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide
CID 38256287
N-[(1S)-2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 1252396
N-[(1S)-2,2,2-trichloro-1-(4-iodophenyl)ethyl]benzenesulfonamide
CID 1037783
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methylsulfonylbenzenesulfonamide
CID 55906610
N-[thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide
CID 121021426
N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide
CID 2307159
methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate
CID 60715441
N-[(1S)-2,2,2-trichloro-1-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 1117505
N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide
CID 12000205
N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110846
N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110842

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2,2-trichloro-1-thiophen-2-ylethyl]benzenesulfonamide?
The IUPAC name of N-[(1S)-2,2,2-trichloro-1-thiophen-2-ylethyl]benzenesulfonamide (CID 1116511) is N-[(1S)-2,2,2-trichloro-1-thiophen-2-ylethyl]benzenesulfonamide.
What is the SMILES notation for N-[(1S)-2,2,2-trichloro-1-thiophen-2-ylethyl]benzenesulfonamide?
The canonical SMILES for N-[(1S)-2,2,2-trichloro-1-thiophen-2-ylethyl]benzenesulfonamide is O=S(=O)(N[C@@H](c1cccs1)C(Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of N-[(1S)-2,2,2-trichloro-1-thiophen-2-ylethyl]benzenesulfonamide?
The InChIKey is NNNLFBBUKQKHSN-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of N-[(1S)-2,2,2-trichloro-1-thiophen-2-ylethyl]benzenesulfonamide?
N-[(1S)-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-[(1S)-2,2,2-trichloro-1-thiophen-2-ylethyl]benzenesulfonamide is sourced from PubChem (CID 1116511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).