2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide

C21H20N2O2S — CID 4030330

IUPAC2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N=C(Nc2ccccc2)c2ccccc2C)cc1
InChIInChI=1S/C21H20N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(20-11-7-6-8-17(20)2)22-18-9-4-3-5-10-18/h3-15H,1-2H3,(H,22,23)
InChIKeyXARKCHGIRQTRQC-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.55
Rot. Bonds4

About 2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide

2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide (PubChem CID 4030330) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide.

Molecular Properties

Compound Name2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide
PubChem CID4030330
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N=C(Nc2ccccc2)c2ccccc2C)cc1
InChIInChI=1S/C21H20N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(20-11-7-6-8-17(20)2)22-18-9-4-3-5-10-18/h3-15H,1-2H3,(H,22,23)
InChIKeyXARKCHGIRQTRQC-UHFFFAOYSA-N
XLogP4.55
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.55
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'}

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Related Compounds

(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
CID 155906264
N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 6143727
2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide
CID 3445259
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
1-(4-bromophenyl)-3-[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]thiourea
CID 2873060
N-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 34071712
2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
4-methylbenzenesulfonic acid;2-methylbenzoic acid
CID 175869263
butyl 4-[[(Z)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoate
CID 6195846
N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide
CID 2177177
N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2982049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide?
The IUPAC name of 2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide (CID 4030330) is 2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide.
What is the SMILES notation for 2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide?
The canonical SMILES for 2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide is Cc1ccc(S(=O)(=O)N=C(Nc2ccccc2)c2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide?
The InChIKey is XARKCHGIRQTRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(20-11-7-6-8-17(20)2)22-18-9-4-3-5-10-18/h3-15H,1-2H3,(H,22,23).
What are the key properties of 2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide?
2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide has a molecular weight of 364.47 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide is sourced from PubChem (CID 4030330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).