4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide

C23H22N2O5S — CID 95282978

IUPAC4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H22N2O5S/c1-16(18-9-12-21-22(15-18)30-14-13-29-21)24-23(26)17-7-10-19(11-8-17)25-31(27,28)20-5-3-2-4-6-20/h2-12,15-16,25H,13-14H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyAWFFUULJTVXOQF-INIZCTEOSA-N
MW438.51 g/mol
LogP3.75
Rot. Bonds6

About 4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide

4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide (PubChem CID 95282978) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
PubChem CID95282978
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H22N2O5S/c1-16(18-9-12-21-22(15-18)30-14-13-29-21)24-23(26)17-7-10-19(11-8-17)25-31(27,28)20-5-3-2-4-6-20/h2-12,15-16,25H,13-14H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyAWFFUULJTVXOQF-INIZCTEOSA-N
XLogP3.75
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide
CID 133165204
4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 41170534
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-4-[(3,4-dichlorophenyl)sulfonylamino]benzamide
CID 40939726
4-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 27839947
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-iodobenzamide
CID 27839938
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide
CID 51177532
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 41170336
4-bromo-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 6552812
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7534852
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-9-oxofluorene-2-carboxamide
CID 16613066
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-phenylbenzamide
CID 56725272
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(methanesulfonamido)benzamide
CID 55579514

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide (CID 95282978) is 4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide is C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide?
The InChIKey is AWFFUULJTVXOQF-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-16(18-9-12-21-22(15-18)30-14-13-29-21)24-23(26)17-7-10-19(11-8-17)25-31(27,28)20-5-3-2-4-6-20/h2-12,15-16,25H,13-14H2,1H3,(H,24,26)/t16-/m0/s1.
What are the key properties of 4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide?
4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide has a molecular weight of 438.51 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide is sourced from PubChem (CID 95282978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).