N-[(2S)-2-fluoropropyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide

C25H25FN2O4S — CID 88911049

IUPACN-[(2S)-2-fluoropropyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide
SMILESC[C@H](F)CN(c1cc2c(cc1OCc1ccc(C=O)cc1)CCC2)S(=O)(=O)c1ccccn1
InChIInChI=1S/C25H25FN2O4S/c1-18(26)15-28(33(30,31)25-7-2-3-12-27-25)23-13-21-5-4-6-22(21)14-24(23)32-17-20-10-8-19(16-29)9-11-20/h2-3,7-14,16,18H,4-6,15,17H2,1H3/t18-/m0/s1
InChIKeyVBSAQXMEOXRBDB-SFHVURJKSA-N
MW468.55 g/mol
LogP4.52
Rot. Bonds9

About N-[(2S)-2-fluoropropyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide

N-[(2S)-2-fluoropropyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide (PubChem CID 88911049) has the molecular formula C25H25FN2O4S and a molecular weight of 468.55 g/mol. Its IUPAC name is N-[(2S)-2-fluoropropyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-fluoropropyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide
PubChem CID88911049
Molecular FormulaC25H25FN2O4S
Molecular Weight468.55 g/mol
Exact Mass468.15
IUPAC NameN-[(2S)-2-fluoropropyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide
SMILESC[C@H](F)CN(c1cc2c(cc1OCc1ccc(C=O)cc1)CCC2)S(=O)(=O)c1ccccn1
InChIInChI=1S/C25H25FN2O4S/c1-18(26)15-28(33(30,31)25-7-2-3-12-27-25)23-13-21-5-4-6-22(21)14-24(23)32-17-20-10-8-19(16-29)9-11-20/h2-3,7-14,16,18H,4-6,15,17H2,1H3/t18-/m0/s1
InChIKeyVBSAQXMEOXRBDB-SFHVURJKSA-N
XLogP4.52
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-fluoropropyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide?
The IUPAC name of N-[(2S)-2-fluoropropyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide (CID 88911049) is N-[(2S)-2-fluoropropyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[(2S)-2-fluoropropyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide?
The canonical SMILES for N-[(2S)-2-fluoropropyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide is C[C@H](F)CN(c1cc2c(cc1OCc1ccc(C=O)cc1)CCC2)S(=O)(=O)c1ccccn1.
What is the InChIKey of N-[(2S)-2-fluoropropyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide?
The InChIKey is VBSAQXMEOXRBDB-SFHVURJKSA-N. The full InChI is InChI=1S/C25H25FN2O4S/c1-18(26)15-28(33(30,31)25-7-2-3-12-27-25)23-13-21-5-4-6-22(21)14-24(23)32-17-20-10-8-19(16-29)9-11-20/h2-3,7-14,16,18H,4-6,15,17H2,1H3/t18-/m0/s1.
What are the key properties of N-[(2S)-2-fluoropropyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide?
N-[(2S)-2-fluoropropyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide has a molecular weight of 468.55 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-fluoropropyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 88911049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).