2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide

C17H18Cl2N2O3S — CID 55894518

IUPAC2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-11(20-17(22)14-5-4-6-15(18)16(14)19)12-7-9-13(10-8-12)25(23,24)21(2)3/h4-11H,1-3H3,(H,20,22)
InChIKeyGZUNXSSTXGEOGT-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.73
Rot. Bonds5

About 2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide

2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide (PubChem CID 55894518) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide
PubChem CID55894518
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-11(20-17(22)14-5-4-6-15(18)16(14)19)12-7-9-13(10-8-12)25(23,24)21(2)3/h4-11H,1-3H3,(H,20,22)
InChIKeyGZUNXSSTXGEOGT-UHFFFAOYSA-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

2,3-dichloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]benzamide
CID 112765419
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-methyl-3-nitrobenzamide
CID 60535171
2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 37354874
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733415
2-[(4-chlorophenyl)methoxy]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide
CID 60535034
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55894145
4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 9451752
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55893509
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55894651

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide (CID 55894518) is 2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide is CC(NC(=O)c1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide?
The InChIKey is GZUNXSSTXGEOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-11(20-17(22)14-5-4-6-15(18)16(14)19)12-7-9-13(10-8-12)25(23,24)21(2)3/h4-11H,1-3H3,(H,20,22).
What are the key properties of 2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide?
2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]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 2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 55894518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).