N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide

C18H20ClN3O4S — CID 16610550

IUPACN-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H20ClN3O4S/c1-3-22(4-2)27(25,26)14-9-10-16(19)15(11-14)18(24)21-13-7-5-12(6-8-13)17(20)23/h5-11H,3-4H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyOVUYUIGBJGRJNU-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.72
Rot. Bonds7

About N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide

N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide (PubChem CID 16610550) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
PubChem CID16610550
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC NameN-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H20ClN3O4S/c1-3-22(4-2)27(25,26)14-9-10-16(19)15(11-14)18(24)21-13-7-5-12(6-8-13)17(20)23/h5-11H,3-4H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyOVUYUIGBJGRJNU-UHFFFAOYSA-N
XLogP2.72
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 39171138
2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 18274938
N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46550803
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 56518335
2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 60552239
2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 60575411
2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
CID 9415986
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide?
The IUPAC name of N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide (CID 16610550) is N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide?
The InChIKey is OVUYUIGBJGRJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-3-22(4-2)27(25,26)14-9-10-16(19)15(11-14)18(24)21-13-7-5-12(6-8-13)17(20)23/h5-11H,3-4H2,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide?
N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide has a molecular weight of 409.90 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 16610550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).