N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide

C13H11ClN2O2S — CID 555502

IUPACN'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
SMILESNC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C13H11ClN2O2S/c14-11-6-8-12(9-7-11)19(17,18)16-13(15)10-4-2-1-3-5-10/h1-9H,(H2,15,16)
InChIKeyQOCXZYYBTSTZCG-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.43
Rot. Bonds3

About N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide

N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide (PubChem CID 555502) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
PubChem CID555502
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC NameN'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
SMILESNC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C13H11ClN2O2S/c14-11-6-8-12(9-7-11)19(17,18)16-13(15)10-4-2-1-3-5-10/h1-9H,(H2,15,16)
InChIKeyQOCXZYYBTSTZCG-UHFFFAOYSA-N
XLogP2.43
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 5414602
(4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 6384363
phenyl N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 2305334
N'-(4-chlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 2950669
N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide
CID 2974867
N'-(2-nitrophenyl)sulfonylbenzenecarboximidamide
CID 2945274
4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
CID 6156703
(4-methylphenyl) N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 2305333
N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 2331143
4-methyl-N'-[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 2303263

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide (CID 555502) is N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide is NC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide?
The InChIKey is QOCXZYYBTSTZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c14-11-6-8-12(9-7-11)19(17,18)16-13(15)10-4-2-1-3-5-10/h1-9H,(H2,15,16).
What are the key properties of N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide?
N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide has a molecular weight of 294.76 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 555502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).