N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide

C13H15N3O3S — CID 61367599

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C13H15N3O3S/c1-8-12(7-14-15-8)20(18,19)16-13-10-5-3-2-4-9(10)6-11(13)17/h2-5,7,11,13,16-17H,6H2,1H3,(H,14,15)
InChIKeyRNCQUNGYEGBDHO-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.65
Rot. Bonds3

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61367599) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61367599
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C13H15N3O3S/c1-8-12(7-14-15-8)20(18,19)16-13-10-5-3-2-4-9(10)6-11(13)17/h2-5,7,11,13,16-17H,6H2,1H3,(H,14,15)
InChIKeyRNCQUNGYEGBDHO-UHFFFAOYSA-N
XLogP0.65
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-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

Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61274952
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684490
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684497
2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
CID 103825572
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 97245674
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847936
5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide
CID 107213629
2,5-dibromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-3-sulfonamide
CID 102739058
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-sulfonamide
CID 104773010
N-(2-amino-2,3-dihydro-1H-inden-1-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 63766590
N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 115695681
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 165430397

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 61367599) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1c2ccccc2CC1O.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is RNCQUNGYEGBDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8-12(7-14-15-8)20(18,19)16-13-10-5-3-2-4-9(10)6-11(13)17/h2-5,7,11,13,16-17H,6H2,1H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61367599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).