N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide

C19H14BrIN2O2S — CID 46368553

IUPACN'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide
SMILESO=S(=O)(/N=C(\Nc1ccccc1I)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrIN2O2S/c20-15-10-12-16(13-11-15)26(24,25)23-19(14-6-2-1-3-7-14)22-18-9-5-4-8-17(18)21/h1-13H,(H,22,23)
InChIKeyKVFQXYIUUALHNR-UHFFFAOYSA-N
MW541.21 g/mol
LogP5.30
Rot. Bonds4

About N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide

N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide (PubChem CID 46368553) has the molecular formula C19H14BrIN2O2S and a molecular weight of 541.21 g/mol. Its IUPAC name is N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide
PubChem CID46368553
Molecular FormulaC19H14BrIN2O2S
Molecular Weight541.21 g/mol
Exact Mass539.90
IUPAC NameN'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide
SMILESO=S(=O)(/N=C(\Nc1ccccc1I)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrIN2O2S/c20-15-10-12-16(13-11-15)26(24,25)23-19(14-6-2-1-3-7-14)22-18-9-5-4-8-17(18)21/h1-13H,(H,22,23)
InChIKeyKVFQXYIUUALHNR-UHFFFAOYSA-N
XLogP5.30
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.21
LogP ≤ 55.30
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide?
The IUPAC name of N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide (CID 46368553) is N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide?
The canonical SMILES for N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide is O=S(=O)(/N=C(\Nc1ccccc1I)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide?
The InChIKey is KVFQXYIUUALHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrIN2O2S/c20-15-10-12-16(13-11-15)26(24,25)23-19(14-6-2-1-3-7-14)22-18-9-5-4-8-17(18)21/h1-13H,(H,22,23).
What are the key properties of N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide?
N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide has a molecular weight of 541.21 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide is sourced from PubChem (CID 46368553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).