(1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride

C11H7Cl2NO2S2 — CID 18871859

IUPAC(1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride
SMILESO=S(=O)(/N=C(/Cl)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C11H7Cl2NO2S2/c12-9-5-2-1-4-8(9)11(13)14-18(15,16)10-6-3-7-17-10/h1-7H/b14-11+
InChIKeyGPUNKNPWJQOAFY-SDNWHVSQSA-N
MW320.22 g/mol
LogP3.78
Rot. Bonds3

About (1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride

(1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride (PubChem CID 18871859) has the molecular formula C11H7Cl2NO2S2 and a molecular weight of 320.22 g/mol. Its IUPAC name is (1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride
PubChem CID18871859
Molecular FormulaC11H7Cl2NO2S2
Molecular Weight320.22 g/mol
Exact Mass318.93
IUPAC Name(1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride
SMILESO=S(=O)(/N=C(/Cl)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C11H7Cl2NO2S2/c12-9-5-2-1-4-8(9)11(13)14-18(15,16)10-6-3-7-17-10/h1-7H/b14-11+
InChIKeyGPUNKNPWJQOAFY-SDNWHVSQSA-N
XLogP3.78
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride
CID 3688340
N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide
CID 3445264
N-benzhydrylidenethiophene-2-sulfonamide
CID 176730447
2-chloro-N-thiophen-2-ylsulfonylbenzamide
CID 975839
methyl N'-thiophen-2-ylsulfonylcarbamimidate
CID 74002349
N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 75459336
N-sulfonylthiophene-2-sulfonamide
CID 88522112
(2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid
CID 107314977
N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide
CID 687527
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
N-ethylidenethiophene-2-sulfonamide
CID 141046508
sodium thiophene-2-sulfonic acid
CID 54603046

Frequently Asked Questions

What is the IUPAC name of (1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride?
The IUPAC name of (1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride (CID 18871859) is (1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride.
What is the SMILES notation for (1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride?
The canonical SMILES for (1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride is O=S(=O)(/N=C(/Cl)c1ccccc1Cl)c1cccs1.
What is the InChIKey of (1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride?
The InChIKey is GPUNKNPWJQOAFY-SDNWHVSQSA-N. The full InChI is InChI=1S/C11H7Cl2NO2S2/c12-9-5-2-1-4-8(9)11(13)14-18(15,16)10-6-3-7-17-10/h1-7H/b14-11+.
What are the key properties of (1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride?
(1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride has a molecular weight of 320.22 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride is sourced from PubChem (CID 18871859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).