N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide

C20H19N3O4S2 — CID 6143727

IUPACN'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)/N=C(\Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C20H19N3O4S2/c1-15-7-11-19(12-8-15)29(26,27)23-20(16-5-3-2-4-6-16)22-17-9-13-18(14-10-17)28(21,24)25/h2-14H,1H3,(H,22,23)(H2,21,24,25)
InChIKeyJIINQRGPBOKXCE-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.89
Rot. Bonds5

About N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide

N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide (PubChem CID 6143727) has the molecular formula C20H19N3O4S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
PubChem CID6143727
Molecular FormulaC20H19N3O4S2
Molecular Weight429.52 g/mol
Exact Mass429.08
IUPAC NameN'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)/N=C(\Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C20H19N3O4S2/c1-15-7-11-19(12-8-15)29(26,27)23-20(16-5-3-2-4-6-16)22-17-9-13-18(14-10-17)28(21,24)25/h2-14H,1H3,(H,22,23)(H2,21,24,25)
InChIKeyJIINQRGPBOKXCE-UHFFFAOYSA-N
XLogP2.89
TPSA118.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.89
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'}

Analyze N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-chlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 2950669
N'-(4-methylphenyl)sulfonyl-N-[4-[[4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenyl]methyl]phenyl]benzenecarboximidamide
CID 4704513
N'-(4-methylphenyl)sulfonyl-4-nitro-N-phenylbenzenecarboximidamide
CID 2951197
butyl 4-[[(Z)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoate
CID 6195846
N-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 34071712
1-(4-bromophenyl)-3-[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]thiourea
CID 2873060
2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide
CID 4030330
N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide
CID 4704503
N'-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrabromo-4-hydroxyphenyl)benzenecarboximidamide
CID 15517229
N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 11835108
N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2982049

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide?
The IUPAC name of N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide (CID 6143727) is N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide is Cc1ccc(S(=O)(=O)/N=C(\Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1.
What is the InChIKey of N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide?
The InChIKey is JIINQRGPBOKXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S2/c1-15-7-11-19(12-8-15)29(26,27)23-20(16-5-3-2-4-6-16)22-17-9-13-18(14-10-17)28(21,24)25/h2-14H,1H3,(H,22,23)(H2,21,24,25).
What are the key properties of N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide?
N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide has a molecular weight of 429.52 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide is sourced from PubChem (CID 6143727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).