(3S)-7-[(5-cyano-3-pyridinyl)oxy]-2,2-difluoro-3-hydroxy-1,3-dihydroindole-4-sulfonamide

C14H10F2N4O4S — CID 151713814

IUPAC(3S)-7-[(5-cyano-3-pyridinyl)oxy]-2,2-difluoro-3-hydroxy-1,3-dihydroindole-4-sulfonamide
SMILESN#Cc1cncc(Oc2ccc(S(N)(=O)=O)c3c2NC(F)(F)[C@H]3O)c1
InChIInChI=1S/C14H10F2N4O4S/c15-14(16)13(21)11-10(25(18,22)23)2-1-9(12(11)20-14)24-8-3-7(4-17)5-19-6-8/h1-3,5-6,13,20-21H,(H2,18,22,23)/t13-/m0/s1
InChIKeyRHCNDKSQEPGXRW-ZDUSSCGKSA-N
MW368.32 g/mol
LogP1.44
Rot. Bonds3

About (3S)-7-[(5-cyano-3-pyridinyl)oxy]-2,2-difluoro-3-hydroxy-1,3-dihydroindole-4-sulfonamide

(3S)-7-[(5-cyano-3-pyridinyl)oxy]-2,2-difluoro-3-hydroxy-1,3-dihydroindole-4-sulfonamide (PubChem CID 151713814) has the molecular formula C14H10F2N4O4S and a molecular weight of 368.32 g/mol. Its IUPAC name is (3S)-7-[(5-cyano-3-pyridinyl)oxy]-2,2-difluoro-3-hydroxy-1,3-dihydroindole-4-sulfonamide.

Molecular Properties

Compound Name(3S)-7-[(5-cyano-3-pyridinyl)oxy]-2,2-difluoro-3-hydroxy-1,3-dihydroindole-4-sulfonamide
PubChem CID151713814
Molecular FormulaC14H10F2N4O4S
Molecular Weight368.32 g/mol
Exact Mass368.04
IUPAC Name(3S)-7-[(5-cyano-3-pyridinyl)oxy]-2,2-difluoro-3-hydroxy-1,3-dihydroindole-4-sulfonamide
SMILESN#Cc1cncc(Oc2ccc(S(N)(=O)=O)c3c2NC(F)(F)[C@H]3O)c1
InChIInChI=1S/C14H10F2N4O4S/c15-14(16)13(21)11-10(25(18,22)23)2-1-9(12(11)20-14)24-8-3-7(4-17)5-19-6-8/h1-3,5-6,13,20-21H,(H2,18,22,23)/t13-/m0/s1
InChIKeyRHCNDKSQEPGXRW-ZDUSSCGKSA-N
XLogP1.44
TPSA138.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-7-[(5-cyano-3-pyridinyl)oxy]-2,2-difluoro-3-hydroxy-1,3-dihydroindole-4-sulfonamide?
The IUPAC name of (3S)-7-[(5-cyano-3-pyridinyl)oxy]-2,2-difluoro-3-hydroxy-1,3-dihydroindole-4-sulfonamide (CID 151713814) is (3S)-7-[(5-cyano-3-pyridinyl)oxy]-2,2-difluoro-3-hydroxy-1,3-dihydroindole-4-sulfonamide.
What is the SMILES notation for (3S)-7-[(5-cyano-3-pyridinyl)oxy]-2,2-difluoro-3-hydroxy-1,3-dihydroindole-4-sulfonamide?
The canonical SMILES for (3S)-7-[(5-cyano-3-pyridinyl)oxy]-2,2-difluoro-3-hydroxy-1,3-dihydroindole-4-sulfonamide is N#Cc1cncc(Oc2ccc(S(N)(=O)=O)c3c2NC(F)(F)[C@H]3O)c1.
What is the InChIKey of (3S)-7-[(5-cyano-3-pyridinyl)oxy]-2,2-difluoro-3-hydroxy-1,3-dihydroindole-4-sulfonamide?
The InChIKey is RHCNDKSQEPGXRW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H10F2N4O4S/c15-14(16)13(21)11-10(25(18,22)23)2-1-9(12(11)20-14)24-8-3-7(4-17)5-19-6-8/h1-3,5-6,13,20-21H,(H2,18,22,23)/t13-/m0/s1.
What are the key properties of (3S)-7-[(5-cyano-3-pyridinyl)oxy]-2,2-difluoro-3-hydroxy-1,3-dihydroindole-4-sulfonamide?
(3S)-7-[(5-cyano-3-pyridinyl)oxy]-2,2-difluoro-3-hydroxy-1,3-dihydroindole-4-sulfonamide has a molecular weight of 368.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-[(5-cyano-3-pyridinyl)oxy]-2,2-difluoro-3-hydroxy-1,3-dihydroindole-4-sulfonamide is sourced from PubChem (CID 151713814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).