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

C20H19N3O4S2 — CID 11835108

IUPACN-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)/N=C(\NNS(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19N3O4S2/c1-16-12-14-19(15-13-16)28(24,25)22-20(17-8-4-2-5-9-17)21-23-29(26,27)18-10-6-3-7-11-18/h2-15,23H,1H3,(H,21,22)
InChIKeyBEMIQGXTIZXORV-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.61
Rot. Bonds6

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

N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide (PubChem CID 11835108) has the molecular formula C20H19N3O4S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
PubChem CID11835108
Molecular FormulaC20H19N3O4S2
Molecular Weight429.52 g/mol
Exact Mass429.08
IUPAC NameN-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)/N=C(\NNS(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19N3O4S2/c1-16-12-14-19(15-13-16)28(24,25)22-20(17-8-4-2-5-9-17)21-23-29(26,27)18-10-6-3-7-11-18/h2-15,23H,1H3,(H,21,22)
InChIKeyBEMIQGXTIZXORV-UHFFFAOYSA-N
XLogP2.61
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.61
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2340419
N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 6143727
N'-(4-methylphenyl)sulfonyl-N-[4-[[4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenyl]methyl]phenyl]benzenecarboximidamide
CID 4704513
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
N'-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrabromo-4-hydroxyphenyl)benzenecarboximidamide
CID 15517229
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818
N-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 34071712
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
1-(4-bromophenyl)-3-[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]thiourea
CID 2873060
2,3,6-trichloro-4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenolate
CID 3637018
N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide
CID 134879097

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide (CID 11835108) is N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide is Cc1ccc(S(=O)(=O)/N=C(\NNS(=O)(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The InChIKey is BEMIQGXTIZXORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S2/c1-16-12-14-19(15-13-16)28(24,25)22-20(17-8-4-2-5-9-17)21-23-29(26,27)18-10-6-3-7-11-18/h2-15,23H,1H3,(H,21,22).
What are the key properties of N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide has a molecular weight of 429.52 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 11835108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).