3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide

C18H19FN2O3S — CID 71938729

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NNc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c19-15-5-7-16(8-6-15)20-21-18(22)10-11-25(23,24)17-9-4-13-2-1-3-14(13)12-17/h4-9,12,20H,1-3,10-11H2,(H,21,22)
InChIKeyDPRAQRFADVEBKG-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.62
Rot. Bonds6

About 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide (PubChem CID 71938729) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide
PubChem CID71938729
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NNc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c19-15-5-7-16(8-6-15)20-21-18(22)10-11-25(23,24)17-9-4-13-2-1-3-14(13)12-17/h4-9,12,20H,1-3,10-11H2,(H,21,22)
InChIKeyDPRAQRFADVEBKG-UHFFFAOYSA-N
XLogP2.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]propanamide
CID 97011943
N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119515659
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 119406690
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide
CID 120826990
N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 120507153
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119457125
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119461973
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
CID 55891636
N-[(2,4-difluorophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide
CID 55688025
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one
CID 64642185
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide
CID 52723374

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide (CID 71938729) is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide is O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NNc1ccc(F)cc1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide?
The InChIKey is DPRAQRFADVEBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-15-5-7-16(8-6-15)20-21-18(22)10-11-25(23,24)17-9-4-13-2-1-3-14(13)12-17/h4-9,12,20H,1-3,10-11H2,(H,21,22).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide?
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide has a molecular weight of 362.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide is sourced from PubChem (CID 71938729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).