4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide

C18H20Cl2N2O3S — CID 24600801

IUPAC4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide
SMILESCCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20Cl2N2O3S/c1-4-16(12-5-8-14(19)9-6-12)21-18(23)13-7-10-15(20)17(11-13)26(24,25)22(2)3/h5-11,16H,4H2,1-3H3,(H,21,23)
InChIKeyXXMVFIVEPDHLDK-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.12
Rot. Bonds6

About 4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide

4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 24600801) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID24600801
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide
SMILESCCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20Cl2N2O3S/c1-4-16(12-5-8-14(19)9-6-12)21-18(23)13-7-10-15(20)17(11-13)26(24,25)22(2)3/h5-11,16H,4H2,1-3H3,(H,21,23)
InChIKeyXXMVFIVEPDHLDK-UHFFFAOYSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 9451752
4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568374
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
propan-2-yl 3-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 24516750
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 92675230
N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 51317743
methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 25484227
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94020029
N-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 60603932
4-chloro-3-(dimethylsulfamoyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]benzamide
CID 25488003
N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide (CID 24600801) is 4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide is CCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is XXMVFIVEPDHLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-4-16(12-5-8-14(19)9-6-12)21-18(23)13-7-10-15(20)17(11-13)26(24,25)22(2)3/h5-11,16H,4H2,1-3H3,(H,21,23).
What are the key properties of 4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide?
4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 415.34 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 24600801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).