4-[3-amino-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide

C17H20N2O5S — CID 165413025

IUPAC4-[3-amino-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide
SMILESNC(CCOc1ccc(S(N)(=O)=O)cc1)C1COc2ccccc2O1
InChIInChI=1S/C17H20N2O5S/c18-14(17-11-23-15-3-1-2-4-16(15)24-17)9-10-22-12-5-7-13(8-6-12)25(19,20)21/h1-8,14,17H,9-11,18H2,(H2,19,20,21)
InChIKeyGHVPEVBTYVRTHA-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.27
Rot. Bonds6

About 4-[3-amino-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide

4-[3-amino-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide (PubChem CID 165413025) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-[3-amino-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-amino-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide
PubChem CID165413025
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name4-[3-amino-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide
SMILESNC(CCOc1ccc(S(N)(=O)=O)cc1)C1COc2ccccc2O1
InChIInChI=1S/C17H20N2O5S/c18-14(17-11-23-15-3-1-2-4-16(15)24-17)9-10-22-12-5-7-13(8-6-12)25(19,20)21/h1-8,14,17H,9-11,18H2,(H2,19,20,21)
InChIKeyGHVPEVBTYVRTHA-UHFFFAOYSA-N
XLogP1.27
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(7-Benzenesulfonyl-2,3-dihydro-benzo[1,4]dioxin-2(R)-ylmethyl)-methyl-amine
CID 11652654
N-[2-(phenylsulfanyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2897360
N-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
CID 25243776
N-[3-[(2,6-difluorophenyl)sulfonylamino]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
CID 25243781
N-[5-[(2,6-difluorophenyl)sulfonylamino]pentyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
CID 25243782
N-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
CID 25243784
N-[4-[(2,6-difluorophenyl)sulfonylamino]butyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
CID 25243786
N-[2-(4-fluorophenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 645702
N-(3-methoxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2890764
3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 134148037
4-[2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethylamino)ethoxy]benzenesulfonamide;hydrochloride
CID 168270594
4-[3-Azido-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide
CID 168286950

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide?
The IUPAC name of 4-[3-amino-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide (CID 165413025) is 4-[3-amino-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide.
What is the SMILES notation for 4-[3-amino-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide?
The canonical SMILES for 4-[3-amino-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide is NC(CCOc1ccc(S(N)(=O)=O)cc1)C1COc2ccccc2O1.
What is the InChIKey of 4-[3-amino-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide?
The InChIKey is GHVPEVBTYVRTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c18-14(17-11-23-15-3-1-2-4-16(15)24-17)9-10-22-12-5-7-13(8-6-12)25(19,20)21/h1-8,14,17H,9-11,18H2,(H2,19,20,21).
What are the key properties of 4-[3-amino-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide?
4-[3-amino-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide has a molecular weight of 364.42 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-3-(2,3-dihydro-1,4-benzodioxin-3-yl)propoxy]benzenesulfonamide is sourced from PubChem (CID 165413025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).