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

C13H15N3O2S — CID 61274952

IUPACN-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCc2ccccc21
InChIInChI=1S/C13H15N3O2S/c1-9-13(8-14-15-9)19(17,18)16-12-7-6-10-4-2-3-5-11(10)12/h2-5,8,12,16H,6-7H2,1H3,(H,14,15)
InChIKeyPJDPIFOLYWBKJX-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.68
Rot. Bonds3

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

N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61274952) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61274952
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCc2ccccc21
InChIInChI=1S/C13H15N3O2S/c1-9-13(8-14-15-9)19(17,18)16-12-7-6-10-4-2-3-5-11(10)12/h2-5,8,12,16H,6-7H2,1H3,(H,14,15)
InChIKeyPJDPIFOLYWBKJX-UHFFFAOYSA-N
XLogP1.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61367599
5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide
CID 167874563
N-(2,3-dihydro-1H-inden-1-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 17487417
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
CID 61052493
N,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-4-sulfonamide
CID 60958622
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
CID 24556255
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-sulfonamide
CID 102692407
N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 55598185
N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 115695681
5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide
CID 60910848
(1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride
CID 157196656
N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114297377

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 61274952) is N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is PJDPIFOLYWBKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-13(8-14-15-9)19(17,18)16-12-7-6-10-4-2-3-5-11(10)12/h2-5,8,12,16H,6-7H2,1H3,(H,14,15).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61274952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).