(3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C19H22N2O5S — CID 1090883

IUPAC(3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-21(4-2)27(23,24)15-11-9-14(10-12-15)20-19(22)18-13-25-16-7-5-6-8-17(16)26-18/h5-12,18H,3-4,13H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeySNSQQNXLNHBDEC-SFHVURJKSA-N
MW390.46 g/mol
LogP2.50
Rot. Bonds6

About (3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 1090883) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is (3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID1090883
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name(3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-21(4-2)27(23,24)15-11-9-14(10-12-15)20-19(22)18-13-25-16-7-5-6-8-17(16)26-18/h5-12,18H,3-4,13H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeySNSQQNXLNHBDEC-SFHVURJKSA-N
XLogP2.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7760069
(3R)-N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7733395
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3162267
(3R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41117122
(3R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8752942
(3S)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 978643
N-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 19168010
N-[4-(diethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 3155134
(2S)-N-[4-(diethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 900571
(3S)-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2210025
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788362
(3S)-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 731093

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 1090883) is (3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1.
What is the InChIKey of (3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is SNSQQNXLNHBDEC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-21(4-2)27(23,24)15-11-9-14(10-12-15)20-19(22)18-13-25-16-7-5-6-8-17(16)26-18/h5-12,18H,3-4,13H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 1090883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).