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

C13H16N4O2S — CID 106087849

IUPAC4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide
SMILESNCc1cn[nH]c1S(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H16N4O2S/c14-7-11-8-15-16-13(11)20(18,19)17-12-5-9-3-1-2-4-10(9)6-12/h1-4,8,12,17H,5-7,14H2,(H,15,16)
InChIKeyGSLFASCOOWWNMB-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.31
Rot. Bonds4

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

4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 106087849) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID106087849
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide
SMILESNCc1cn[nH]c1S(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H16N4O2S/c14-7-11-8-15-16-13(11)20(18,19)17-12-5-9-3-1-2-4-10(9)6-12/h1-4,8,12,17H,5-7,14H2,(H,15,16)
InChIKeyGSLFASCOOWWNMB-UHFFFAOYSA-N
XLogP0.31
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide (CID 106087849) is 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide is NCc1cn[nH]c1S(=O)(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is GSLFASCOOWWNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c14-7-11-8-15-16-13(11)20(18,19)17-12-5-9-3-1-2-4-10(9)6-12/h1-4,8,12,17H,5-7,14H2,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106087849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).