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

C14H17N3O2S — CID 104693811

IUPACN-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C14H17N3O2S/c1-9-14(10(2)16-15-9)20(18,19)17-13-7-11-5-3-4-6-12(11)8-13/h3-6,13,17H,7-8H2,1-2H3,(H,15,16)
InChIKeyJHSJPUUUIGHPKU-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.47
Rot. Bonds3

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

N-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 104693811) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID104693811
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C14H17N3O2S/c1-9-14(10(2)16-15-9)20(18,19)17-13-7-11-5-3-4-6-12(11)8-13/h3-6,13,17H,7-8H2,1-2H3,(H,15,16)
InChIKeyJHSJPUUUIGHPKU-UHFFFAOYSA-N
XLogP1.47
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 104693811) is N-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is JHSJPUUUIGHPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-14(10(2)16-15-9)20(18,19)17-13-7-11-5-3-4-6-12(11)8-13/h3-6,13,17H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.47, 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-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 104693811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).