N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide

C11H13N5O4S — CID 110871136

IUPACN-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide
SMILESCN(Cc1nnnn1C)S(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H13N5O4S/c1-15(6-11-12-13-14-16(11)2)21(17,18)8-3-4-9-10(5-8)20-7-19-9/h3-5H,6-7H2,1-2H3
InChIKeyKFLBGRKJTGVTOT-UHFFFAOYSA-N
MW311.32 g/mol
LogP-0.24
Rot. Bonds4

About N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide

N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 110871136) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID110871136
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC NameN-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide
SMILESCN(Cc1nnnn1C)S(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H13N5O4S/c1-15(6-11-12-13-14-16(11)2)21(17,18)8-3-4-9-10(5-8)20-7-19-9/h3-5H,6-7H2,1-2H3
InChIKeyKFLBGRKJTGVTOT-UHFFFAOYSA-N
XLogP-0.24
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide (CID 110871136) is N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide is CN(Cc1nnnn1C)S(=O)(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is KFLBGRKJTGVTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-15(6-11-12-13-14-16(11)2)21(17,18)8-3-4-9-10(5-8)20-7-19-9/h3-5H,6-7H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 311.32 g/mol, XLogP of -0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110871136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).