N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-sulfonamide

C15H19N3O3S — CID 91631345

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2cnn(C)c2)Cc2ccccc2C1
InChIInChI=1S/C15H19N3O3S/c1-18-10-14(9-16-18)22(19,20)17-11-15(21-2)7-12-5-3-4-6-13(12)8-15/h3-6,9-10,17H,7-8,11H2,1-2H3
InChIKeyHPVJFYLUFHYMPV-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.88
Rot. Bonds5

About N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-sulfonamide

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 91631345) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID91631345
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2cnn(C)c2)Cc2ccccc2C1
InChIInChI=1S/C15H19N3O3S/c1-18-10-14(9-16-18)22(19,20)17-11-15(21-2)7-12-5-3-4-6-13(12)8-15/h3-6,9-10,17H,7-8,11H2,1-2H3
InChIKeyHPVJFYLUFHYMPV-UHFFFAOYSA-N
XLogP0.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-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-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-sulfonamide (CID 91631345) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-sulfonamide is COC1(CNS(=O)(=O)c2cnn(C)c2)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is HPVJFYLUFHYMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-18-10-14(9-16-18)22(19,20)17-11-15(21-2)7-12-5-3-4-6-13(12)8-15/h3-6,9-10,17H,7-8,11H2,1-2H3.
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-sulfonamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 321.40 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 91631345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).