5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide

C18H17ClN2O4S — CID 11625341

IUPAC5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(CNS(=O)(=O)N(C)C(=O)c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C18H17ClN2O4S/c1-12-3-5-13(6-4-12)11-20-26(23,24)21(2)18(22)17-10-14-9-15(19)7-8-16(14)25-17/h3-10,20H,11H2,1-2H3
InChIKeyZZQHDFLGXXLQRQ-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.50
Rot. Bonds5

About 5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide

5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide (PubChem CID 11625341) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide
PubChem CID11625341
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(CNS(=O)(=O)N(C)C(=O)c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C18H17ClN2O4S/c1-12-3-5-13(6-4-12)11-20-26(23,24)21(2)18(22)17-10-14-9-15(19)7-8-16(14)25-17/h3-10,20H,11H2,1-2H3
InChIKeyZZQHDFLGXXLQRQ-UHFFFAOYSA-N
XLogP3.50
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 38294036
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 55960779
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 59661959
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9269145
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9036179
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 9328773
5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide
CID 95321771
2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105102492
(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone
CID 29076016

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide (CID 11625341) is 5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide is Cc1ccc(CNS(=O)(=O)N(C)C(=O)c2cc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide?
The InChIKey is ZZQHDFLGXXLQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-12-3-5-13(6-4-12)11-20-26(23,24)21(2)18(22)17-10-14-9-15(19)7-8-16(14)25-17/h3-10,20H,11H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide?
5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide has a molecular weight of 392.86 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 11625341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).