N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide

C17H16ClN3O4S — CID 55339628

IUPACN-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H16ClN3O4S/c1-21(2)26(23,24)16-8-11(5-7-15(16)25-3)17(22)20-13-6-4-12(10-19)14(18)9-13/h4-9H,1-3H3,(H,20,22)
InChIKeyMEEHQORFVDAAFK-UHFFFAOYSA-N
MW393.85 g/mol
LogP2.72
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide

N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 55339628) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID55339628
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC NameN-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H16ClN3O4S/c1-21(2)26(23,24)16-8-11(5-7-15(16)25-3)17(22)20-13-6-4-12(10-19)14(18)9-13/h4-9H,1-3H3,(H,20,22)
InChIKeyMEEHQORFVDAAFK-UHFFFAOYSA-N
XLogP2.72
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 55556618
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
3-(dimethylsulfamoyl)-4-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 45374027
4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide
CID 26699911
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-propan-2-ylbenzamide
CID 9106497
N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide
CID 2464580
4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide
CID 26702751
N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide
CID 31115517
4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102014
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55670093
N-(3,4-dichlorophenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36859467

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 55339628) is N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is MEEHQORFVDAAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c1-21(2)26(23,24)16-8-11(5-7-15(16)25-3)17(22)20-13-6-4-12(10-19)14(18)9-13/h4-9H,1-3H3,(H,20,22).
What are the key properties of N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 393.85 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 55339628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).