hydrogen sulfite;2-phenyl-1-propylindole

C17H18NO3S- — CID 121433978

IUPAChydrogen sulfite;2-phenyl-1-propylindole
SMILESCCCn1c(-c2ccccc2)cc2ccccc21.O=S([O-])O
InChIInChI=1S/C17H17N.H2O3S/c1-2-12-18-16-11-7-6-10-15(16)13-17(18)14-8-4-3-5-9-14;1-4(2)3/h3-11,13H,2,12H2,1H3;(H2,1,2,3)/p-1
InChIKeyQWFHGTMDCRDVBI-UHFFFAOYSA-M
MW316.40 g/mol
LogP4.06
Rot. Bonds3

About hydrogen sulfite;2-phenyl-1-propylindole

hydrogen sulfite;2-phenyl-1-propylindole (PubChem CID 121433978) has the molecular formula C17H18NO3S- and a molecular weight of 316.40 g/mol. Its IUPAC name is hydrogen sulfite;2-phenyl-1-propylindole.

Molecular Properties

Compound Namehydrogen sulfite;2-phenyl-1-propylindole
PubChem CID121433978
Molecular FormulaC17H18NO3S-
Molecular Weight316.40 g/mol
Exact Mass316.10
IUPAC Namehydrogen sulfite;2-phenyl-1-propylindole
SMILESCCCn1c(-c2ccccc2)cc2ccccc21.O=S([O-])O
InChIInChI=1S/C17H17N.H2O3S/c1-2-12-18-16-11-7-6-10-15(16)13-17(18)14-8-4-3-5-9-14;1-4(2)3/h3-11,13H,2,12H2,1H3;(H2,1,2,3)/p-1
InChIKeyQWFHGTMDCRDVBI-UHFFFAOYSA-M
XLogP4.06
TPSA65.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

1-pentyl-2-phenylindole
CID 54214068
1-phenyl-3-(2-phenylindol-1-yl)propan-1-one
CID 151018616
10-propylacridin-3-one
CID 158430562
1-(3-methylbut-3-enyl)-2-phenylindole
CID 114476740
3-phenyl-2-propylisoquinolin-1-one
CID 102338692
1-butyl-2-(4-nitrophenyl)indole
CID 12654268
trifluoro-[(2-phenylindol-1-yl)methyl]boranuide
CID 63702309
benzene;1-methyl-2-phenylindole
CID 158316839
4-(2-naphthalen-2-ylindol-1-yl)butan-2-one
CID 11370420
N,N,2-trimethyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]propanamide
CID 86899973
1-[(E)-3-chloroprop-2-enyl]-2-phenylindole
CID 116619067
ethane;trimethyl-(1-propylindol-2-yl)silane
CID 91266795

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfite;2-phenyl-1-propylindole?
The IUPAC name of hydrogen sulfite;2-phenyl-1-propylindole (CID 121433978) is hydrogen sulfite;2-phenyl-1-propylindole.
What is the SMILES notation for hydrogen sulfite;2-phenyl-1-propylindole?
The canonical SMILES for hydrogen sulfite;2-phenyl-1-propylindole is CCCn1c(-c2ccccc2)cc2ccccc21.O=S([O-])O.
What is the InChIKey of hydrogen sulfite;2-phenyl-1-propylindole?
The InChIKey is QWFHGTMDCRDVBI-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H17N.H2O3S/c1-2-12-18-16-11-7-6-10-15(16)13-17(18)14-8-4-3-5-9-14;1-4(2)3/h3-11,13H,2,12H2,1H3;(H2,1,2,3)/p-1.
What are the key properties of hydrogen sulfite;2-phenyl-1-propylindole?
hydrogen sulfite;2-phenyl-1-propylindole has a molecular weight of 316.40 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfite;2-phenyl-1-propylindole is sourced from PubChem (CID 121433978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).