3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide

C22H17N3O5S — CID 16813614

IUPAC3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H17N3O5S/c23-21(26)20-19(16-11-5-7-13-18(16)30-20)24-22(27)15-10-4-6-12-17(15)25-31(28,29)14-8-2-1-3-9-14/h1-13,25H,(H2,23,26)(H,24,27)
InChIKeyHTSIWMGSYIDWBN-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.58
Rot. Bonds6

About 3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide

3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 16813614) has the molecular formula C22H17N3O5S and a molecular weight of 435.46 g/mol. Its IUPAC name is 3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide
PubChem CID16813614
Molecular FormulaC22H17N3O5S
Molecular Weight435.46 g/mol
Exact Mass435.09
IUPAC Name3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H17N3O5S/c23-21(26)20-19(16-11-5-7-13-18(16)30-20)24-22(27)15-10-4-6-12-17(15)25-31(28,29)14-8-2-1-3-9-14/h1-13,25H,(H2,23,26)(H,24,27)
InChIKeyHTSIWMGSYIDWBN-UHFFFAOYSA-N
XLogP3.58
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3656399
3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 16822812
4-[(2-carbamoyl-1-benzofuran-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106763
3-[[3-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 18575760
3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7266821
3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide
CID 8842704
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3521473

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide (CID 16813614) is 3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide is NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is HTSIWMGSYIDWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O5S/c23-21(26)20-19(16-11-5-7-13-18(16)30-20)24-22(27)15-10-4-6-12-17(15)25-31(28,29)14-8-2-1-3-9-14/h1-13,25H,(H2,23,26)(H,24,27).
What are the key properties of 3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide?
3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16813614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).