sodium;6-fluoro-1H-indole-2-sulfonic acid;hydride

C8H7FNNaO3S — CID 173033196

IUPACsodium;6-fluoro-1H-indole-2-sulfonic acid;hydride
SMILESO=S(=O)(O)c1cc2ccc(F)cc2[nH]1.[H-].[Na+]
InChIInChI=1S/C8H6FNO3S.Na.H/c9-6-2-1-5-3-8(14(11,12)13)10-7(5)4-6;;/h1-4,10H,(H,11,12,13);;/q;+1;-1
InChIKeyXPFWYHPKYIYMIA-UHFFFAOYSA-N
MW239.20 g/mol
LogP-1.33
Rot. Bonds1

About sodium;6-fluoro-1H-indole-2-sulfonic acid;hydride

sodium;6-fluoro-1H-indole-2-sulfonic acid;hydride (PubChem CID 173033196) has the molecular formula C8H7FNNaO3S and a molecular weight of 239.20 g/mol. Its IUPAC name is sodium;6-fluoro-1H-indole-2-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;6-fluoro-1H-indole-2-sulfonic acid;hydride
PubChem CID173033196
Molecular FormulaC8H7FNNaO3S
Molecular Weight239.20 g/mol
Exact Mass239.00
IUPAC Namesodium;6-fluoro-1H-indole-2-sulfonic acid;hydride
SMILESO=S(=O)(O)c1cc2ccc(F)cc2[nH]1.[H-].[Na+]
InChIInChI=1S/C8H6FNO3S.Na.H/c9-6-2-1-5-3-8(14(11,12)13)10-7(5)4-6;;/h1-4,10H,(H,11,12,13);;/q;+1;-1
InChIKeyXPFWYHPKYIYMIA-UHFFFAOYSA-N
XLogP-1.33
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-1H-quinolin-2-one
CID 19067575
1H-indole-2-sulfonic acid;pyridine
CID 175739122
N-[(6-fluoro-1H-indol-2-yl)methyl]ethanamine
CID 117180302
2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone
CID 131008440
(E)-3-(6-fluoro-1H-indol-2-yl)prop-2-enoic acid
CID 84739841
3-(6-fluoro-1H-indol-2-yl)propyl methanesulfonate
CID 22735785
6-fluoro-2-(2-methoxypropan-2-yl)-1H-indole
CID 165486244
4-fluorobenzenesulfonic acid;hydrochloride
CID 87503782
5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide
CID 174478335
1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid
CID 53398780
3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one
CID 84620651
4-(6-fluoro-1H-indol-2-yl)aniline
CID 71602423

Frequently Asked Questions

What is the IUPAC name of sodium;6-fluoro-1H-indole-2-sulfonic acid;hydride?
The IUPAC name of sodium;6-fluoro-1H-indole-2-sulfonic acid;hydride (CID 173033196) is sodium;6-fluoro-1H-indole-2-sulfonic acid;hydride.
What is the SMILES notation for sodium;6-fluoro-1H-indole-2-sulfonic acid;hydride?
The canonical SMILES for sodium;6-fluoro-1H-indole-2-sulfonic acid;hydride is O=S(=O)(O)c1cc2ccc(F)cc2[nH]1.[H-].[Na+].
What is the InChIKey of sodium;6-fluoro-1H-indole-2-sulfonic acid;hydride?
The InChIKey is XPFWYHPKYIYMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO3S.Na.H/c9-6-2-1-5-3-8(14(11,12)13)10-7(5)4-6;;/h1-4,10H,(H,11,12,13);;/q;+1;-1.
What are the key properties of sodium;6-fluoro-1H-indole-2-sulfonic acid;hydride?
sodium;6-fluoro-1H-indole-2-sulfonic acid;hydride has a molecular weight of 239.20 g/mol, XLogP of -1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-fluoro-1H-indole-2-sulfonic acid;hydride is sourced from PubChem (CID 173033196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).