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

C19H23FN2O2S — CID 155548823

IUPACN-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2S/c1-14(2)13-25(23,24)21-18-7-8-19-16(11-18)9-10-22(19)12-15-3-5-17(20)6-4-15/h3-8,11,14,21H,9-10,12-13H2,1-2H3
InChIKeyPCSVPLKSSLBRLP-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.79
Rot. Bonds6

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

N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-2-methylpropane-1-sulfonamide (PubChem CID 155548823) 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]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-2-methylpropane-1-sulfonamide
PubChem CID155548823
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2S/c1-14(2)13-25(23,24)21-18-7-8-19-16(11-18)9-10-22(19)12-15-3-5-17(20)6-4-15/h3-8,11,14,21H,9-10,12-13H2,1-2H3
InChIKeyPCSVPLKSSLBRLP-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-2-methylpropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-2-methylpropane-1-sulfonamide (CID 155548823) is N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-2-methylpropane-1-sulfonamide?
The InChIKey is PCSVPLKSSLBRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-14(2)13-25(23,24)21-18-7-8-19-16(11-18)9-10-22(19)12-15-3-5-17(20)6-4-15/h3-8,11,14,21H,9-10,12-13H2,1-2H3.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-2-methylpropane-1-sulfonamide?
N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-2-methylpropane-1-sulfonamide has a molecular weight of 362.47 g/mol, XLogP of 3.79, 6 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]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 155548823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).