N'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide

C19H14ClN3O4S — CID 6376283

IUPACN'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide
SMILESO=[N+]([O-])c1ccc(N/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C19H14ClN3O4S/c20-15-6-12-18(13-7-15)28(26,27)22-19(14-4-2-1-3-5-14)21-16-8-10-17(11-9-16)23(24)25/h1-13H,(H,21,22)
InChIKeyWNHRRIUCAWPOLD-UHFFFAOYSA-N
MW415.86 g/mol
LogP4.50
Rot. Bonds5

About N'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide

N'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide (PubChem CID 6376283) has the molecular formula C19H14ClN3O4S and a molecular weight of 415.86 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide
PubChem CID6376283
Molecular FormulaC19H14ClN3O4S
Molecular Weight415.86 g/mol
Exact Mass415.04
IUPAC NameN'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide
SMILESO=[N+]([O-])c1ccc(N/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C19H14ClN3O4S/c20-15-6-12-18(13-7-15)28(26,27)22-19(14-4-2-1-3-5-14)21-16-8-10-17(11-9-16)23(24)25/h1-13H,(H,21,22)
InChIKeyWNHRRIUCAWPOLD-UHFFFAOYSA-N
XLogP4.50
TPSA101.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.86
LogP ≤ 54.50
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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide (CID 6376283) is N'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide is O=[N+]([O-])c1ccc(N/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide?
The InChIKey is WNHRRIUCAWPOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4S/c20-15-6-12-18(13-7-15)28(26,27)22-19(14-4-2-1-3-5-14)21-16-8-10-17(11-9-16)23(24)25/h1-13H,(H,21,22).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide?
N'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide has a molecular weight of 415.86 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide is sourced from PubChem (CID 6376283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).