sodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride

C14H9ClFN2NaO3S — CID 173323658

IUPACsodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride
SMILESNC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(F)c(Cl)cc21.[H-].[Na+]
InChIInChI=1S/C14H8ClFN2O3S.Na.H/c15-7-5-9-6(4-8(7)16)11(13(20)18(9)14(17)21)12(19)10-2-1-3-22-10;;/h1-5,20H,(H2,17,21);;/q;+1;-1
InChIKeyIQLOSKKNMVYQFX-UHFFFAOYSA-N
MW362.75 g/mol
LogP0.48
Rot. Bonds2

About sodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride

sodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride (PubChem CID 173323658) has the molecular formula C14H9ClFN2NaO3S and a molecular weight of 362.75 g/mol. Its IUPAC name is sodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride.

Molecular Properties

Compound Namesodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride
PubChem CID173323658
Molecular FormulaC14H9ClFN2NaO3S
Molecular Weight362.75 g/mol
Exact Mass361.99
IUPAC Namesodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride
SMILESNC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(F)c(Cl)cc21.[H-].[Na+]
InChIInChI=1S/C14H8ClFN2O3S.Na.H/c15-7-5-9-6(4-8(7)16)11(13(20)18(9)14(17)21)12(19)10-2-1-3-22-10;;/h1-5,20H,(H2,17,21);;/q;+1;-1
InChIKeyIQLOSKKNMVYQFX-UHFFFAOYSA-N
XLogP0.48
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.75
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide
CID 140967202
[(1-carbamoyl-6-chloro-5-fluoro-2-hydroxyindol-3-yl)-thiophen-2-ylmethoxy]methanethioic S-acid
CID 90776216
ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate
CID 136880134
N-benzyl-5-chloro-2-hydroxy-N-methyl-3-(thiophene-2-carbonyl)indole-1-carboxamide
CID 10598451
(5-amino-2-chlorophenyl)-thiophen-2-ylmethanone
CID 54011537
(1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone
CID 137243649
(4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone
CID 135053389
(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone
CID 80529755
[(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-oxoindol-3-ylidene)-thiophen-2-ylmethyl] 2-acetyloxyacetate
CID 10717892
4-O-[(E)-(1-carbamoyl-6-chloro-5-fluoro-2-oxoindol-3-ylidene)-thiophen-2-ylmethyl] 1-O-methyl (E)-but-2-enedioate
CID 67691289
(2,4-difluorophenyl)-thiophen-2-ylmethanone
CID 43160742
3-(4-chloro-3-fluorophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 76916085

Frequently Asked Questions

What is the IUPAC name of sodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride?
The IUPAC name of sodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride (CID 173323658) is sodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride.
What is the SMILES notation for sodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride?
The canonical SMILES for sodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride is NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(F)c(Cl)cc21.[H-].[Na+].
What is the InChIKey of sodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride?
The InChIKey is IQLOSKKNMVYQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O3S.Na.H/c15-7-5-9-6(4-8(7)16)11(13(20)18(9)14(17)21)12(19)10-2-1-3-22-10;;/h1-5,20H,(H2,17,21);;/q;+1;-1.
What are the key properties of sodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride?
sodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride has a molecular weight of 362.75 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride is sourced from PubChem (CID 173323658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).