N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide

C19H23FN2O2S — CID 155559810

IUPACN-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2S/c1-2-3-12-25(23,24)21-18-8-9-19-16(13-18)10-11-22(19)14-15-4-6-17(20)7-5-15/h4-9,13,21H,2-3,10-12,14H2,1H3
InChIKeyNHROOFVHLXMHIC-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.93
Rot. Bonds7

About N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide

N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide (PubChem CID 155559810) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide
PubChem CID155559810
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2S/c1-2-3-12-25(23,24)21-18-8-9-19-16(13-18)10-11-22(19)14-15-4-6-17(20)7-5-15/h4-9,13,21H,2-3,10-12,14H2,1H3
InChIKeyNHROOFVHLXMHIC-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide (CID 155559810) is N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide?
The InChIKey is NHROOFVHLXMHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-2-3-12-25(23,24)21-18-8-9-19-16(13-18)10-11-22(19)14-15-4-6-17(20)7-5-15/h4-9,13,21H,2-3,10-12,14H2,1H3.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide?
N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide has a molecular weight of 362.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide is sourced from PubChem (CID 155559810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).