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

C19H17ClN2O2S2 — CID 3519070

IUPAC2-chloro-N'-(2-phenylethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESO=S(=O)(N/C(=N\CCc1ccccc1)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C19H17ClN2O2S2/c20-17-10-5-4-9-16(17)19(21-13-12-15-7-2-1-3-8-15)22-26(23,24)18-11-6-14-25-18/h1-11,14H,12-13H2,(H,21,22)
InChIKeyBMAOXZMSYAXVBS-UHFFFAOYSA-N
MW404.94 g/mol
LogP4.37
Rot. Bonds6

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

2-chloro-N'-(2-phenylethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide (PubChem CID 3519070) has the molecular formula C19H17ClN2O2S2 and a molecular weight of 404.94 g/mol. Its IUPAC name is 2-chloro-N'-(2-phenylethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-(2-phenylethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide
PubChem CID3519070
Molecular FormulaC19H17ClN2O2S2
Molecular Weight404.94 g/mol
Exact Mass404.04
IUPAC Name2-chloro-N'-(2-phenylethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESO=S(=O)(N/C(=N\CCc1ccccc1)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C19H17ClN2O2S2/c20-17-10-5-4-9-16(17)19(21-13-12-15-7-2-1-3-8-15)22-26(23,24)18-11-6-14-25-18/h1-11,14H,12-13H2,(H,21,22)
InChIKeyBMAOXZMSYAXVBS-UHFFFAOYSA-N
XLogP4.37
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2-phenylethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The IUPAC name of 2-chloro-N'-(2-phenylethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide (CID 3519070) is 2-chloro-N'-(2-phenylethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-(2-phenylethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-(2-phenylethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide is O=S(=O)(N/C(=N\CCc1ccccc1)c1ccccc1Cl)c1cccs1.
What is the InChIKey of 2-chloro-N'-(2-phenylethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The InChIKey is BMAOXZMSYAXVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S2/c20-17-10-5-4-9-16(17)19(21-13-12-15-7-2-1-3-8-15)22-26(23,24)18-11-6-14-25-18/h1-11,14H,12-13H2,(H,21,22).
What are the key properties of 2-chloro-N'-(2-phenylethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
2-chloro-N'-(2-phenylethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide has a molecular weight of 404.94 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2-phenylethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 3519070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).