5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C23H21ClN2O5S — CID 24513759

IUPAC5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2Cc3cc(Cl)ccc3O2)ccc1C
InChIInChI=1S/C23H21ClN2O5S/c1-14-7-9-17(25-23(27)21-12-15-11-16(24)8-10-19(15)31-21)13-22(14)32(28,29)26-18-5-3-4-6-20(18)30-2/h3-11,13,21,26H,12H2,1-2H3,(H,25,27)
InChIKeyFAGCKVSRANBDJZ-UHFFFAOYSA-N
MW472.95 g/mol
LogP4.40
Rot. Bonds6

About 5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 24513759) has the molecular formula C23H21ClN2O5S and a molecular weight of 472.95 g/mol. Its IUPAC name is 5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID24513759
Molecular FormulaC23H21ClN2O5S
Molecular Weight472.95 g/mol
Exact Mass472.09
IUPAC Name5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2Cc3cc(Cl)ccc3O2)ccc1C
InChIInChI=1S/C23H21ClN2O5S/c1-14-7-9-17(25-23(27)21-12-15-11-16(24)8-10-19(15)31-21)13-22(14)32(28,29)26-18-5-3-4-6-20(18)30-2/h3-11,13,21,26H,12H2,1-2H3,(H,25,27)
InChIKeyFAGCKVSRANBDJZ-UHFFFAOYSA-N
XLogP4.40
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013531
5-chloro-N-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013499
5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 166206767
1-cyclopropyl-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 7942694
5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
5-chloro-N-[4-(ethylsulfonylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55960335
(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9088486
1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide
CID 167920194
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
(2S)-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083111
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083841
N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 24513759) is 5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2Cc3cc(Cl)ccc3O2)ccc1C.
What is the InChIKey of 5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is FAGCKVSRANBDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O5S/c1-14-7-9-17(25-23(27)21-12-15-11-16(24)8-10-19(15)31-21)13-22(14)32(28,29)26-18-5-3-4-6-20(18)30-2/h3-11,13,21,26H,12H2,1-2H3,(H,25,27).
What are the key properties of 5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 472.95 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24513759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).