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

C21H25ClN2O5S — CID 55414222

IUPAC6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2COc3ccc(Cl)cc3C2)c1
InChIInChI=1S/C21H25ClN2O5S/c1-4-24(5-2)30(26,27)17-7-9-20(28-3)18(12-17)23-21(25)15-10-14-11-16(22)6-8-19(14)29-13-15/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H,23,25)
InChIKeyUSCYBKXNPJWUJR-UHFFFAOYSA-N
MW452.96 g/mol
LogP3.57
Rot. Bonds7

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

6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 55414222) has the molecular formula C21H25ClN2O5S and a molecular weight of 452.96 g/mol. Its IUPAC name is 6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID55414222
Molecular FormulaC21H25ClN2O5S
Molecular Weight452.96 g/mol
Exact Mass452.12
IUPAC Name6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2COc3ccc(Cl)cc3C2)c1
InChIInChI=1S/C21H25ClN2O5S/c1-4-24(5-2)30(26,27)17-7-9-20(28-3)18(12-17)23-21(25)15-10-14-11-16(22)6-8-19(14)29-13-15/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H,23,25)
InChIKeyUSCYBKXNPJWUJR-UHFFFAOYSA-N
XLogP3.57
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 42930090
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-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3162267
6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55595952
6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 46656679
6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46684270
2-(2,5-dichloroanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24510593
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244
3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 19237299
2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 3593320

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 55414222) is 6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2COc3ccc(Cl)cc3C2)c1.
What is the InChIKey of 6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is USCYBKXNPJWUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5S/c1-4-24(5-2)30(26,27)17-7-9-20(28-3)18(12-17)23-21(25)15-10-14-11-16(22)6-8-19(14)29-13-15/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H,23,25).
What are the key properties of 6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 452.96 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 55414222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).