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

C26H27FN2O4S — CID 88911064

IUPACN-[(2R)-2-fluorobutyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide
SMILESCC[C@@H](F)CN(c1cc2c(cc1OCc1ccc(C=O)cc1)CCC2)S(=O)(=O)c1ccccn1
InChIInChI=1S/C26H27FN2O4S/c1-2-23(27)16-29(34(31,32)26-8-3-4-13-28-26)24-14-21-6-5-7-22(21)15-25(24)33-18-20-11-9-19(17-30)10-12-20/h3-4,8-15,17,23H,2,5-7,16,18H2,1H3/t23-/m1/s1
InChIKeyKRIBKXYJRSKODT-HSZRJFAPSA-N
MW482.58 g/mol
LogP4.91
Rot. Bonds10

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

N-[(2R)-2-fluorobutyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide (PubChem CID 88911064) has the molecular formula C26H27FN2O4S and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[(2R)-2-fluorobutyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-fluorobutyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide
PubChem CID88911064
Molecular FormulaC26H27FN2O4S
Molecular Weight482.58 g/mol
Exact Mass482.17
IUPAC NameN-[(2R)-2-fluorobutyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide
SMILESCC[C@@H](F)CN(c1cc2c(cc1OCc1ccc(C=O)cc1)CCC2)S(=O)(=O)c1ccccn1
InChIInChI=1S/C26H27FN2O4S/c1-2-23(27)16-29(34(31,32)26-8-3-4-13-28-26)24-14-21-6-5-7-22(21)15-25(24)33-18-20-11-9-19(17-30)10-12-20/h3-4,8-15,17,23H,2,5-7,16,18H2,1H3/t23-/m1/s1
InChIKeyKRIBKXYJRSKODT-HSZRJFAPSA-N
XLogP4.91
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.91
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-[(2R)-2-fluorobutyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide?
The IUPAC name of N-[(2R)-2-fluorobutyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide (CID 88911064) is N-[(2R)-2-fluorobutyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[(2R)-2-fluorobutyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide?
The canonical SMILES for N-[(2R)-2-fluorobutyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide is CC[C@@H](F)CN(c1cc2c(cc1OCc1ccc(C=O)cc1)CCC2)S(=O)(=O)c1ccccn1.
What is the InChIKey of N-[(2R)-2-fluorobutyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide?
The InChIKey is KRIBKXYJRSKODT-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27FN2O4S/c1-2-23(27)16-29(34(31,32)26-8-3-4-13-28-26)24-14-21-6-5-7-22(21)15-25(24)33-18-20-11-9-19(17-30)10-12-20/h3-4,8-15,17,23H,2,5-7,16,18H2,1H3/t23-/m1/s1.
What are the key properties of N-[(2R)-2-fluorobutyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide?
N-[(2R)-2-fluorobutyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide has a molecular weight of 482.58 g/mol, XLogP of 4.91, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-fluorobutyl]-N-[6-[(4-formylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 88911064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).