N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide

C20H17ClN2O2S — CID 2331143

IUPACN'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
SMILESCc1ccccc1NC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H17ClN2O2S/c1-15-7-5-6-10-19(15)22-20(16-8-3-2-4-9-16)23-26(24,25)18-13-11-17(21)12-14-18/h2-14H,1H3,(H,22,23)
InChIKeyUGBXDMHPHSVYKV-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.90
Rot. Bonds4

About N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide

N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide (PubChem CID 2331143) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
PubChem CID2331143
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC NameN'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
SMILESCc1ccccc1NC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H17ClN2O2S/c1-15-7-5-6-10-19(15)22-20(16-8-3-2-4-9-16)23-26(24,25)18-13-11-17(21)12-14-18/h2-14H,1H3,(H,22,23)
InChIKeyUGBXDMHPHSVYKV-UHFFFAOYSA-N
XLogP4.90
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.90
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

N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 6195854
N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide
CID 6343610
N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide
CID 3445258
N'-(4-chlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 2950669
4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
CID 6156703
N'-(4-chlorophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenecarboximidamide
CID 4543922
2,3,6-trichloro-4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenolate
CID 3637018
N'-(4-chlorophenyl)sulfonyl-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzenecarboximidamide
CID 34071723
N'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide
CID 2330211
2-[[N-(benzenesulfonyl)-C-phenylcarbonimidoyl]amino]benzoic acid
CID 66787006
N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide
CID 4564027

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide (CID 2331143) is N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide is Cc1ccccc1NC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide?
The InChIKey is UGBXDMHPHSVYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-15-7-5-6-10-19(15)22-20(16-8-3-2-4-9-16)23-26(24,25)18-13-11-17(21)12-14-18/h2-14H,1H3,(H,22,23).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide?
N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide has a molecular weight of 384.89 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide is sourced from PubChem (CID 2331143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).