2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide

C14H15ClN2O3S2 — CID 4663414

IUPAC2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESCOCC/N=C(\NS(=O)(=O)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O3S2/c1-20-9-8-16-14(11-5-2-3-6-12(11)15)17-22(18,19)13-7-4-10-21-13/h2-7,10H,8-9H2,1H3,(H,16,17)
InChIKeyAGJYGCZGOULMIP-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.77
Rot. Bonds6

About 2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide

2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide (PubChem CID 4663414) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide
PubChem CID4663414
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC Name2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESCOCC/N=C(\NS(=O)(=O)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O3S2/c1-20-9-8-16-14(11-5-2-3-6-12(11)15)17-22(18,19)13-7-4-10-21-13/h2-7,10H,8-9H2,1H3,(H,16,17)
InChIKeyAGJYGCZGOULMIP-UHFFFAOYSA-N
XLogP2.77
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 24818069
2-chloro-N-[2-(4-chlorophenyl)ethyl]-N'-(2-thienylsulfonyl)benzenecarboximidamide
CID 2234675
N~2~-[(Z)-1-amino-1-phenylmethylidene]-5-chloro-2-thiophenesulfonamide
CID 9579597
N'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide
CID 661654
N-[phenyl(propylamino)methylene]-2-thiophenesulfonamide
CID 2945598
2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 3701630
2-(4-Chlorophenyl)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium
CID 2234674
2-chloro-N-(2-chlorobenzyl)-N'-(2-thienylsulfonyl)benzenecarboximidamide
CID 2983475
2-chloro-N'-(2-phenylethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 3519070
[Amino(phenyl)methylidene]-(5-chlorothiophen-2-yl)sulfonylazanium
CID 4287481
N'-[(5-chlorothiophen-2-yl)sulfonyl]benzenecarboximidamide
CID 5389342
2-chloro-N'-(thiophen-2-ylsulfonyl)benzenecarboximidamide
CID 5898887

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The IUPAC name of 2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide (CID 4663414) is 2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide is COCC/N=C(\NS(=O)(=O)c1cccs1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The InChIKey is AGJYGCZGOULMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c1-20-9-8-16-14(11-5-2-3-6-12(11)15)17-22(18,19)13-7-4-10-21-13/h2-7,10H,8-9H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide has a molecular weight of 358.87 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 4663414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).