N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide

C19H15IN2O2S — CID 4704503

IUPACN'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1ccc(I)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15IN2O2S/c20-16-11-13-17(14-12-16)21-19(15-7-3-1-4-8-15)22-25(23,24)18-9-5-2-6-10-18/h1-14H,(H,21,22)
InChIKeyYNXJXNVDFBLZGJ-UHFFFAOYSA-N
MW462.31 g/mol
LogP4.54
Rot. Bonds4

About N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide

N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide (PubChem CID 4704503) has the molecular formula C19H15IN2O2S and a molecular weight of 462.31 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide
PubChem CID4704503
Molecular FormulaC19H15IN2O2S
Molecular Weight462.31 g/mol
Exact Mass461.99
IUPAC NameN'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1ccc(I)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15IN2O2S/c20-16-11-13-17(14-12-16)21-19(15-7-3-1-4-8-15)22-25(23,24)18-9-5-2-6-10-18/h1-14H,(H,21,22)
InChIKeyYNXJXNVDFBLZGJ-UHFFFAOYSA-N
XLogP4.54
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.31
LogP ≤ 54.54
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide
CID 2177177
N'-(4-chlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 2950669
N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 6143727
4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
CID 6156703
N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide
CID 134879097
N'-(4-methylphenyl)sulfonyl-N-[4-[[4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenyl]methyl]phenyl]benzenecarboximidamide
CID 4704513
1-[N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-3-(4-chlorophenyl)thiourea
CID 2303517
2-[[N-(benzenesulfonyl)-C-phenylcarbonimidoyl]amino]benzoic acid
CID 66787006
N-[4-(2-aminoacetyl)phenyl]-N'-(benzenesulfonyl)-4-fluorobenzenecarboximidamide
CID 170860750
1-[N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-3-(dianilinomethylidene)thiourea
CID 4023336
N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide
CID 46368553

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide?
The IUPAC name of N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide (CID 4704503) is N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide is O=S(=O)(N=C(Nc1ccc(I)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide?
The InChIKey is YNXJXNVDFBLZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IN2O2S/c20-16-11-13-17(14-12-16)21-19(15-7-3-1-4-8-15)22-25(23,24)18-9-5-2-6-10-18/h1-14H,(H,21,22).
What are the key properties of N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide?
N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide has a molecular weight of 462.31 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide is sourced from PubChem (CID 4704503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).