4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide

C18H18Cl2N2O4S — CID 70567884

IUPAC4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O4S/c1-21-18(24)9-8-16(23)12-6-7-15(20)17(10-12)27(25,26)22-11-13-4-2-3-5-14(13)19/h2-7,10,22H,8-9,11H2,1H3,(H,21,24)
InChIKeyFQDOGJIHYLAMBZ-UHFFFAOYSA-N
MW429.33 g/mol
LogP3.18
Rot. Bonds8

About 4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide

4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide (PubChem CID 70567884) has the molecular formula C18H18Cl2N2O4S and a molecular weight of 429.33 g/mol. Its IUPAC name is 4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide
PubChem CID70567884
Molecular FormulaC18H18Cl2N2O4S
Molecular Weight429.33 g/mol
Exact Mass428.04
IUPAC Name4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O4S/c1-21-18(24)9-8-16(23)12-6-7-15(20)17(10-12)27(25,26)22-11-13-4-2-3-5-14(13)19/h2-7,10,22H,8-9,11H2,1H3,(H,21,24)
InChIKeyFQDOGJIHYLAMBZ-UHFFFAOYSA-N
XLogP3.18
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214151
N-benzyl-5-(2-bromoacetyl)-2-chlorobenzenesulfonamide
CID 21316702
N-(2-chlorophenyl)-3-[(2-chlorophenyl)methylsulfamoyl]-4-fluorobenzamide
CID 3689795
3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
CID 52563097
4-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]-4-oxobutanoic acid
CID 69466886
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 3526066
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
methyl 4-chloro-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoate
CID 94064314
5-amino-N-[(2-chlorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 28537421
N-butyl-2-chloro-5-propanoylbenzenesulfonamide
CID 39431604

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide?
The IUPAC name of 4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide (CID 70567884) is 4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide is CNC(=O)CCC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of 4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide?
The InChIKey is FQDOGJIHYLAMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S/c1-21-18(24)9-8-16(23)12-6-7-15(20)17(10-12)27(25,26)22-11-13-4-2-3-5-14(13)19/h2-7,10,22H,8-9,11H2,1H3,(H,21,24).
What are the key properties of 4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide?
4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide has a molecular weight of 429.33 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-[(2-chlorophenyl)methylsulfamoyl]phenyl]-N-methyl-4-oxobutanamide is sourced from PubChem (CID 70567884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).