N'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide

C11H9ClN2O2S2 — CID 661654

IUPACN'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide
SMILESNC(=NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C11H9ClN2O2S2/c12-9-6-7-10(17-9)18(15,16)14-11(13)8-4-2-1-3-5-8/h1-7H,(H2,13,14)
InChIKeyDIMKDCIIYCUACE-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.50
Rot. Bonds3

About N'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide

N'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide (PubChem CID 661654) has the molecular formula C11H9ClN2O2S2 and a molecular weight of 300.79 g/mol. Its IUPAC name is N'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide
PubChem CID661654
Molecular FormulaC11H9ClN2O2S2
Molecular Weight300.79 g/mol
Exact Mass299.98
IUPAC NameN'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide
SMILESNC(=NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C11H9ClN2O2S2/c12-9-6-7-10(17-9)18(15,16)14-11(13)8-4-2-1-3-5-8/h1-7H,(H2,13,14)
InChIKeyDIMKDCIIYCUACE-UHFFFAOYSA-N
XLogP2.50
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2''-Chloro-biphenyl-3-sulfonyl)-5-methylsulfanyl-thiophene-2-carboxamidine
CID 21886140
4-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]benzenesulfonamide
CID 141518719
N-[(tert-butylamino)(phenyl)methylene]-2-thiophenesulfonamide
CID 3564949
2-chloro-N'-(2-methoxyethyl)-N-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 4663414
2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 24818069
5-Chloro-thiophene-2-sulfonic acid 4-methyl-benzylamide
CID 893794
2-chloro-N-[2-(4-chlorophenyl)ethyl]-N'-(2-thienylsulfonyl)benzenecarboximidamide
CID 2234675
5-Methylsulfanyl-4-phenylmethanesulfonyl-thiophene-2-carboxamidine
CID 44410335
N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 5738621
N~2~-[(Z)-1-amino-1-phenylmethylidene]-5-chloro-2-thiophenesulfonamide
CID 9579597
N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide
CID 971284
5-chloro-N-(4-fluorobenzyl)thiophene-2-sulfonamide
CID 893742

Frequently Asked Questions

What is the IUPAC name of N'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide?
The IUPAC name of N'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide (CID 661654) is N'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide is NC(=NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of N'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide?
The InChIKey is DIMKDCIIYCUACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S2/c12-9-6-7-10(17-9)18(15,16)14-11(13)8-4-2-1-3-5-8/h1-7H,(H2,13,14).
What are the key properties of N'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide?
N'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide has a molecular weight of 300.79 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chlorothiophen-2-yl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 661654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).