N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide

C19H19ClN2O4S — CID 55389871

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
SMILESCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1cc2ccccc2o1
InChIInChI=1S/C19H19ClN2O4S/c1-12(17-10-13-6-4-5-7-16(13)26-17)21-19(23)14-8-9-15(20)18(11-14)27(24,25)22(2)3/h4-12H,1-3H3,(H,21,23)
InChIKeyJITCLIKONYCRKM-UHFFFAOYSA-N
MW406.89 g/mol
LogP3.83
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide

N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide (PubChem CID 55389871) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
PubChem CID55389871
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
SMILESCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1cc2ccccc2o1
InChIInChI=1S/C19H19ClN2O4S/c1-12(17-10-13-6-4-5-7-16(13)26-17)21-19(23)14-8-9-15(20)18(11-14)27(24,25)22(2)3/h4-12H,1-3H3,(H,21,23)
InChIKeyJITCLIKONYCRKM-UHFFFAOYSA-N
XLogP3.83
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide
CID 9368958
4-chloro-3-(dimethylsulfamoyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]benzamide
CID 25488003
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41139387
4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 9451752
N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 46489933
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582
methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 25484227
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568374
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide
CID 39966545

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide (CID 55389871) is N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide is CC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide?
The InChIKey is JITCLIKONYCRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-12(17-10-13-6-4-5-7-16(13)26-17)21-19(23)14-8-9-15(20)18(11-14)27(24,25)22(2)3/h4-12H,1-3H3,(H,21,23).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide?
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide has a molecular weight of 406.89 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 55389871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).