2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide

C15H15ClN2O2S — CID 10853329

IUPAC2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide
SMILESCc1cccc(Cl)c1/C(N)=N/c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H15ClN2O2S/c1-10-4-3-5-13(16)14(10)15(17)18-11-6-8-12(9-7-11)21(2,19)20/h3-9H,1-2H3,(H2,17,18)
InChIKeyQXGHEFCLDBXPTI-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.09
Rot. Bonds3

About 2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide

2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide (PubChem CID 10853329) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide
PubChem CID10853329
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide
SMILESCc1cccc(Cl)c1/C(N)=N/c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H15ClN2O2S/c1-10-4-3-5-13(16)14(10)15(17)18-11-6-8-12(9-7-11)21(2,19)20/h3-9H,1-2H3,(H2,17,18)
InChIKeyQXGHEFCLDBXPTI-UHFFFAOYSA-N
XLogP3.09
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.09
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'}

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Related Compounds

2-chloro-6-methyl-N'-phenylbenzenecarboximidamide
CID 150758407
N'-(4-methylsulfonylphenyl)-3-nitrobenzenecarboximidamide
CID 10829426
2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide
CID 10614468
2-methyl-6-methylsulfonylbenzamide
CID 153435750
2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 62495683
1-[C-(2-amino-3,3-dimethylbut-1-enyl)-N-(4-methylsulfonylphenyl)carbonimidoyl]-3-(2,3-dichlorophenyl)urea
CID 159775858
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491
bis(4-methylsulfonylphenyl)diazene
CID 14045605
(2,6-dichlorophenyl) 2-methyl-5-methylsulfonylbenzoate
CID 86975445
2-amino-1-(2-chloro-6-methylsulfonylphenyl)ethanone
CID 84706315
N'-(3-chloro-4-fluorophenyl)-4-[2-(4-methylsulfonylphenyl)ethyl]-1,2,5-oxadiazole-3-carboximidamide
CID 89342303
3-methyl-2-(4-methylsulfonylphenyl)benzonitrile
CID 172915356

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide (CID 10853329) is 2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide is Cc1cccc(Cl)c1/C(N)=N/c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide?
The InChIKey is QXGHEFCLDBXPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10-4-3-5-13(16)14(10)15(17)18-11-6-8-12(9-7-11)21(2,19)20/h3-9H,1-2H3,(H2,17,18).
What are the key properties of 2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide?
2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide has a molecular weight of 322.82 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide is sourced from PubChem (CID 10853329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).