5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide

C18H17BrN2O4S — CID 78866131

IUPAC5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H17BrN2O4S/c1-11-4-6-14(10-17(11)26(23,24)21(2)3)20-18(22)16-9-12-8-13(19)5-7-15(12)25-16/h4-10H,1-3H3,(H,20,22)
InChIKeyQXNLDJQIHFVZIT-UHFFFAOYSA-N
MW437.32 g/mol
LogP4.01
Rot. Bonds4

About 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide

5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide (PubChem CID 78866131) has the molecular formula C18H17BrN2O4S and a molecular weight of 437.32 g/mol. Its IUPAC name is 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide
PubChem CID78866131
Molecular FormulaC18H17BrN2O4S
Molecular Weight437.32 g/mol
Exact Mass436.01
IUPAC Name5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H17BrN2O4S/c1-11-4-6-14(10-17(11)26(23,24)21(2)3)20-18(22)16-9-12-8-13(19)5-7-15(12)25-16/h4-10H,1-3H3,(H,20,22)
InChIKeyQXNLDJQIHFVZIT-UHFFFAOYSA-N
XLogP4.01
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 78894571
5-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 9474089
5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide
CID 3903461
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 9328773
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 19225280
5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 19225383
4-bromo-N-[3-[3-(dimethylsulfamoyl)-4-methylanilino]-3-oxopropyl]benzamide
CID 26774195
5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide
CID 34186723
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
CID 61259264
5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19225305

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide (CID 78866131) is 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is QXNLDJQIHFVZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O4S/c1-11-4-6-14(10-17(11)26(23,24)21(2)3)20-18(22)16-9-12-8-13(19)5-7-15(12)25-16/h4-10H,1-3H3,(H,20,22).
What are the key properties of 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide?
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 437.32 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78866131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).