6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C23H21ClN2O6S — CID 42930090

IUPAC6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)C2COc3ccc(Cl)cc3C2)c1
InChIInChI=1S/C23H21ClN2O6S/c1-31-22-5-3-2-4-18(22)26-33(29,30)17-7-8-20(27)19(12-17)25-23(28)15-10-14-11-16(24)6-9-21(14)32-13-15/h2-9,11-12,15,26-27H,10,13H2,1H3,(H,25,28)
InChIKeyVCUXGCCWFIMQEC-UHFFFAOYSA-N
MW488.95 g/mol
LogP4.04
Rot. Bonds6

About 6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 42930090) has the molecular formula C23H21ClN2O6S and a molecular weight of 488.95 g/mol. Its IUPAC name is 6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID42930090
Molecular FormulaC23H21ClN2O6S
Molecular Weight488.95 g/mol
Exact Mass488.08
IUPAC Name6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)C2COc3ccc(Cl)cc3C2)c1
InChIInChI=1S/C23H21ClN2O6S/c1-31-22-5-3-2-4-18(22)26-33(29,30)17-7-8-20(27)19(12-17)25-23(28)15-10-14-11-16(24)6-9-21(14)32-13-15/h2-9,11-12,15,26-27H,10,13H2,1H3,(H,25,28)
InChIKeyVCUXGCCWFIMQEC-UHFFFAOYSA-N
XLogP4.04
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55414222
6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55595952
6-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55955116
(3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9083772
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24596987
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 55628742
[2-(2-methoxyanilino)-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 8641242
6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46684270
6-chloro-N-[2-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119438781
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4097318

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 42930090) is 6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)C2COc3ccc(Cl)cc3C2)c1.
What is the InChIKey of 6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is VCUXGCCWFIMQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O6S/c1-31-22-5-3-2-4-18(22)26-33(29,30)17-7-8-20(27)19(12-17)25-23(28)15-10-14-11-16(24)6-9-21(14)32-13-15/h2-9,11-12,15,26-27H,10,13H2,1H3,(H,25,28).
What are the key properties of 6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 488.95 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 42930090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).