5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide

C18H17ClN2O5S — CID 9474089

IUPAC5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H17ClN2O5S/c1-21(2)27(23,24)17-10-13(5-7-15(17)25-3)20-18(22)16-9-11-8-12(19)4-6-14(11)26-16/h4-10H,1-3H3,(H,20,22)
InChIKeyFDUPPPVCERPJBU-UHFFFAOYSA-N
MW408.86 g/mol
LogP3.60
Rot. Bonds5

About 5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide

5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide (PubChem CID 9474089) has the molecular formula C18H17ClN2O5S and a molecular weight of 408.86 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide
PubChem CID9474089
Molecular FormulaC18H17ClN2O5S
Molecular Weight408.86 g/mol
Exact Mass408.05
IUPAC Name5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H17ClN2O5S/c1-21(2)27(23,24)17-10-13(5-7-15(17)25-3)20-18(22)16-9-11-8-12(19)4-6-14(11)26-16/h4-10H,1-3H3,(H,20,22)
InChIKeyFDUPPPVCERPJBU-UHFFFAOYSA-N
XLogP3.60
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 9328773
N-(4-methoxy-3-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 26929619
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide
CID 78866131
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 19240981
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-propan-2-ylbenzamide
CID 9106497
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2,4-dimethoxybenzamide
CID 9106537
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9269145
methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 55556618
2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide
CID 9106447

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide (CID 9474089) is 5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is FDUPPPVCERPJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5S/c1-21(2)27(23,24)17-10-13(5-7-15(17)25-3)20-18(22)16-9-11-8-12(19)4-6-14(11)26-16/h4-10H,1-3H3,(H,20,22).
What are the key properties of 5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 408.86 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9474089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).