N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide

C16H16N2O5S — CID 27648509

IUPACN-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H16N2O5S/c17-24(20,21)13-5-1-11(2-6-13)3-8-16(19)18-12-4-7-14-15(9-12)23-10-22-14/h1-2,4-7,9H,3,8,10H2,(H,18,19)(H2,17,20,21)
InChIKeyQLNUDHWSIIJLCG-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.63
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide

N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide (PubChem CID 27648509) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide
PubChem CID27648509
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H16N2O5S/c17-24(20,21)13-5-1-11(2-6-13)3-8-16(19)18-12-4-7-14-15(9-12)23-10-22-14/h1-2,4-7,9H,3,8,10H2,(H,18,19)(H2,17,20,21)
InChIKeyQLNUDHWSIIJLCG-UHFFFAOYSA-N
XLogP1.63
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-aminophenyl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 28713210
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide
CID 24539703
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 17473344
N-(1,3-benzodioxol-5-yl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2200896
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
4-[3-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 18159216
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide
CID 110370617
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
N-(4-iodophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24641005
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 110674563

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide (CID 27648509) is N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is QLNUDHWSIIJLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c17-24(20,21)13-5-1-11(2-6-13)3-8-16(19)18-12-4-7-14-15(9-12)23-10-22-14/h1-2,4-7,9H,3,8,10H2,(H,18,19)(H2,17,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide?
N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 348.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 27648509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).