N-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine

C14H12N2O5S — CID 145207270

IUPACN-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine
SMILESCS(=O)(=O)c1ccc(Nc2ccc3c(c2)OCO3)c(N=O)c1
InChIInChI=1S/C14H12N2O5S/c1-22(18,19)10-3-4-11(12(7-10)16-17)15-9-2-5-13-14(6-9)21-8-20-13/h2-7,15H,8H2,1H3
InChIKeyDIFYIIVMWRFBPC-UHFFFAOYSA-N
MW320.33 g/mol
LogP2.96
Rot. Bonds4

About N-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine

N-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine (PubChem CID 145207270) has the molecular formula C14H12N2O5S and a molecular weight of 320.33 g/mol. Its IUPAC name is N-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine.

Molecular Properties

Compound NameN-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine
PubChem CID145207270
Molecular FormulaC14H12N2O5S
Molecular Weight320.33 g/mol
Exact Mass320.05
IUPAC NameN-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine
SMILESCS(=O)(=O)c1ccc(Nc2ccc3c(c2)OCO3)c(N=O)c1
InChIInChI=1S/C14H12N2O5S/c1-22(18,19)10-3-4-11(12(7-10)16-17)15-9-2-5-13-14(6-9)21-8-20-13/h2-7,15H,8H2,1H3
InChIKeyDIFYIIVMWRFBPC-UHFFFAOYSA-N
XLogP2.96
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine 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

3-amino-4-(1,3-benzodioxol-5-ylamino)benzenesulfonamide
CID 43153447
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 42930014
1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 82536487
1-[3-amino-4-(1,3-benzodioxol-5-ylamino)phenyl]ethanone
CID 96667508
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]benzenesulfonamide
CID 112989197
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylsulfonylphenyl)propyl]thiourea
CID 133216677
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 7744703
1-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylamino)-3,6-dimethylpyridin-2-one
CID 102381847
2-(1,3-benzodioxol-5-ylamino)benzoic acid
CID 643226
4-(1,3-benzodioxol-5-ylcarbamoylamino)benzenesulfonic acid
CID 108893705

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine?
The IUPAC name of N-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine (CID 145207270) is N-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine.
What is the SMILES notation for N-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine?
The canonical SMILES for N-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine is CS(=O)(=O)c1ccc(Nc2ccc3c(c2)OCO3)c(N=O)c1.
What is the InChIKey of N-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine?
The InChIKey is DIFYIIVMWRFBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5S/c1-22(18,19)10-3-4-11(12(7-10)16-17)15-9-2-5-13-14(6-9)21-8-20-13/h2-7,15H,8H2,1H3.
What are the key properties of N-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine?
N-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine has a molecular weight of 320.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine is sourced from PubChem (CID 145207270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).