N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide

C14H13Cl2N2O3PS — CID 3514861

IUPACN'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)NC(=NP(=O)(Cl)Cl)c2ccccc2)cc1
InChIInChI=1S/C14H13Cl2N2O3PS/c1-11-7-9-13(10-8-11)23(20,21)18-14(17-22(15,16)19)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,19)
InChIKeyYMEYOMICZVXPIN-UHFFFAOYSA-N
MW391.22 g/mol
LogP4.31
Rot. Bonds4

About N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide

N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide (PubChem CID 3514861) has the molecular formula C14H13Cl2N2O3PS and a molecular weight of 391.22 g/mol. Its IUPAC name is N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
PubChem CID3514861
Molecular FormulaC14H13Cl2N2O3PS
Molecular Weight391.22 g/mol
Exact Mass389.98
IUPAC NameN'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)NC(=NP(=O)(Cl)Cl)c2ccccc2)cc1
InChIInChI=1S/C14H13Cl2N2O3PS/c1-11-7-9-13(10-8-11)23(20,21)18-14(17-22(15,16)19)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,19)
InChIKeyYMEYOMICZVXPIN-UHFFFAOYSA-N
XLogP4.31
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate
CID 7164051
(2S)-2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]propanoate
CID 7472553
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 2830707
4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2340419
1-benzamido-3-(4-methylphenyl)sulfonylurea
CID 4142958
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 11835108
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
(E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide
CID 164665573
N-dichlorophosphoryl-4-methylbenzenesulfonamide
CID 4737336

Frequently Asked Questions

What is the IUPAC name of N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide (CID 3514861) is N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide is Cc1ccc(S(=O)(=O)NC(=NP(=O)(Cl)Cl)c2ccccc2)cc1.
What is the InChIKey of N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The InChIKey is YMEYOMICZVXPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N2O3PS/c1-11-7-9-13(10-8-11)23(20,21)18-14(17-22(15,16)19)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,19).
What are the key properties of N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide?
N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide has a molecular weight of 391.22 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 3514861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).