5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide

C16H14ClN2O2PS — CID 15958957

IUPAC5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide
SMILESCOP(=S)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H14ClN2O2PS/c1-21-22(23,11-5-3-2-4-6-11)15-12-9-10(17)7-8-13(12)19-14(15)16(18)20/h2-9,19H,1H3,(H2,18,20)
InChIKeyKFTSPQMRYGKDIU-UHFFFAOYSA-N
MW364.79 g/mol
LogP2.91
Rot. Bonds4

About 5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide

5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide (PubChem CID 15958957) has the molecular formula C16H14ClN2O2PS and a molecular weight of 364.79 g/mol. Its IUPAC name is 5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide
PubChem CID15958957
Molecular FormulaC16H14ClN2O2PS
Molecular Weight364.79 g/mol
Exact Mass364.02
IUPAC Name5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide
SMILESCOP(=S)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H14ClN2O2PS/c1-21-22(23,11-5-3-2-4-6-11)15-12-9-10(17)7-8-13(12)19-14(15)16(18)20/h2-9,19H,1H3,(H2,18,20)
InChIKeyKFTSPQMRYGKDIU-UHFFFAOYSA-N
XLogP2.91
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide (CID 15958957) is 5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide is COP(=S)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide?
The InChIKey is KFTSPQMRYGKDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN2O2PS/c1-21-22(23,11-5-3-2-4-6-11)15-12-9-10(17)7-8-13(12)19-14(15)16(18)20/h2-9,19H,1H3,(H2,18,20).
What are the key properties of 5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide?
5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide has a molecular weight of 364.79 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 15958957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).