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

C17H18Cl2N2O3S — CID 9451752

IUPAC4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-11(12-4-7-14(18)8-5-12)20-17(22)13-6-9-15(19)16(10-13)25(23,24)21(2)3/h4-11H,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyUTZXMCMWWDVFQE-NSHDSACASA-N
MW401.32 g/mol
LogP3.73
Rot. Bonds5

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

4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 9451752) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID9451752
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-11(12-4-7-14(18)8-5-12)20-17(22)13-6-9-15(19)16(10-13)25(23,24)21(2)3/h4-11H,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyUTZXMCMWWDVFQE-NSHDSACASA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide
CID 24600801
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
4-chloro-3-(dimethylsulfamoyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]benzamide
CID 25488003
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733415
3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55792937
3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide
CID 103221331
methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 25484227
4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide
CID 55594718
4-chloro-N-[1-(3,4-difluorophenyl)ethyl]-3-methylsulfonylbenzamide
CID 51150850
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 55389871
4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568374
N-[1-(4-chlorophenyl)-2-methylpropyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24600978

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide (CID 9451752) is 4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide is C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is UTZXMCMWWDVFQE-NSHDSACASA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-11(12-4-7-14(18)8-5-12)20-17(22)13-6-9-15(19)16(10-13)25(23,24)21(2)3/h4-11H,1-3H3,(H,20,22)/t11-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 401.32 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 9451752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).