1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide

C17H12NO4S- — CID 4744093

IUPAC1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide
SMILESO=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc2ccccc2c1
InChIInChI=1S/C17H12NO4S/c19-23(20,15-7-5-12-3-1-2-4-13(12)9-15)18-14-6-8-16-17(10-14)22-11-21-16/h1-10H,11H2/q-1
InChIKeyAPLUXNQLXPUOFE-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.96
Rot. Bonds3

About 1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide

1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide (PubChem CID 4744093) has the molecular formula C17H12NO4S- and a molecular weight of 326.35 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide
PubChem CID4744093
Molecular FormulaC17H12NO4S-
Molecular Weight326.35 g/mol
Exact Mass326.05
IUPAC Name1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide
SMILESO=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc2ccccc2c1
InChIInChI=1S/C17H12NO4S/c19-23(20,15-7-5-12-3-1-2-4-13(12)9-15)18-14-6-8-16-17(10-14)22-11-21-16/h1-10H,11H2/q-1
InChIKeyAPLUXNQLXPUOFE-UHFFFAOYSA-N
XLogP3.96
TPSA66.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide
CID 3750088
3-(1,3-benzodioxol-5-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one
CID 4881864
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine
CID 22299281
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide
CID 18774828
N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine
CID 70582954
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26532315
N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-sulfonamide
CID 45144928
N-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide
CID 40912417
6-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3-benzodioxol-5-ol
CID 42994897
naphthalene-2-sulfonic acid
CID 8420

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide?
The IUPAC name of 1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide (CID 4744093) is 1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide.
What is the SMILES notation for 1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide?
The canonical SMILES for 1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide is O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc2ccccc2c1.
What is the InChIKey of 1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide?
The InChIKey is APLUXNQLXPUOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12NO4S/c19-23(20,15-7-5-12-3-1-2-4-13(12)9-15)18-14-6-8-16-17(10-14)22-11-21-16/h1-10H,11H2/q-1.
What are the key properties of 1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide?
1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide has a molecular weight of 326.35 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide is sourced from PubChem (CID 4744093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).