N'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide

C17H15Cl3N2O4S — CID 70514970

IUPACN'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide
SMILESCOc1ccc(C(=O)c2ccc(Cl)c(S(=O)(=O)N=CN(C)C)c2)c(Cl)c1Cl
InChIInChI=1S/C17H15Cl3N2O4S/c1-22(2)9-21-27(24,25)14-8-10(4-6-12(14)18)17(23)11-5-7-13(26-3)16(20)15(11)19/h4-9H,1-3H3
InChIKeyDDOCKRPKXJQBPX-UHFFFAOYSA-N
MW449.74 g/mol
LogP4.16
Rot. Bonds6

About N'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide

N'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide (PubChem CID 70514970) has the molecular formula C17H15Cl3N2O4S and a molecular weight of 449.74 g/mol. Its IUPAC name is N'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide
PubChem CID70514970
Molecular FormulaC17H15Cl3N2O4S
Molecular Weight449.74 g/mol
Exact Mass447.98
IUPAC NameN'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide
SMILESCOc1ccc(C(=O)c2ccc(Cl)c(S(=O)(=O)N=CN(C)C)c2)c(Cl)c1Cl
InChIInChI=1S/C17H15Cl3N2O4S/c1-22(2)9-21-27(24,25)14-8-10(4-6-12(14)18)17(23)11-5-7-13(26-3)16(20)15(11)19/h4-9H,1-3H3
InChIKeyDDOCKRPKXJQBPX-UHFFFAOYSA-N
XLogP4.16
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.74
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 13210300
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 14012570
(5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 107201379
2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride
CID 58107445
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125
4-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-(methylsulfamoyl)benzamide
CID 9182996
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 115781783
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607
5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 15922038

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide (CID 70514970) is N'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide is COc1ccc(C(=O)c2ccc(Cl)c(S(=O)(=O)N=CN(C)C)c2)c(Cl)c1Cl.
What is the InChIKey of N'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide?
The InChIKey is DDOCKRPKXJQBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O4S/c1-22(2)9-21-27(24,25)14-8-10(4-6-12(14)18)17(23)11-5-7-13(26-3)16(20)15(11)19/h4-9H,1-3H3.
What are the key properties of N'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide?
N'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide has a molecular weight of 449.74 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide is sourced from PubChem (CID 70514970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).