N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide

C16H13N3O2S2 — CID 6856060

IUPACN'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide
SMILESO=S(=O)(/N=C(\Nc1nccs1)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13N3O2S2/c20-23(21,14-9-5-2-6-10-14)19-15(13-7-3-1-4-8-13)18-16-17-11-12-22-16/h1-12H,(H,17,18,19)
InChIKeyFQCPXQBARWPSCB-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.39
Rot. Bonds4

About N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide

N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide (PubChem CID 6856060) has the molecular formula C16H13N3O2S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide
PubChem CID6856060
Molecular FormulaC16H13N3O2S2
Molecular Weight343.43 g/mol
Exact Mass343.04
IUPAC NameN'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide
SMILESO=S(=O)(/N=C(\Nc1nccs1)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13N3O2S2/c20-23(21,14-9-5-2-6-10-14)19-15(13-7-3-1-4-8-13)18-16-17-11-12-22-16/h1-12H,(H,17,18,19)
InChIKeyFQCPXQBARWPSCB-UHFFFAOYSA-N
XLogP3.39
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.39
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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Related Compounds

N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 2234502
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide
CID 6024373
3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 154975421
N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide
CID 4564027
(2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 2118573
3-(dimethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 4030304
3-(cyclopentylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 166188646
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
(1,3-thiazol-2-ylamino) benzoate
CID 174937063
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2117884

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide?
The IUPAC name of N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide (CID 6856060) is N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide is O=S(=O)(/N=C(\Nc1nccs1)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide?
The InChIKey is FQCPXQBARWPSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S2/c20-23(21,14-9-5-2-6-10-14)19-15(13-7-3-1-4-8-13)18-16-17-11-12-22-16/h1-12H,(H,17,18,19).
What are the key properties of N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide?
N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide has a molecular weight of 343.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide is sourced from PubChem (CID 6856060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).