4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide

C19H23FN2O2S — CID 133189855

IUPAC4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCN2c3ccccc3CC2C)ccc1F
InChIInChI=1S/C19H23FN2O2S/c1-14-12-17(8-9-18(14)20)25(23,24)21-10-5-11-22-15(2)13-16-6-3-4-7-19(16)22/h3-4,6-9,12,15,21H,5,10-11,13H2,1-2H3
InChIKeyTWXLASVASNXTLM-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.25
Rot. Bonds6

About 4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide

4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide (PubChem CID 133189855) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide
PubChem CID133189855
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCN2c3ccccc3CC2C)ccc1F
InChIInChI=1S/C19H23FN2O2S/c1-14-12-17(8-9-18(14)20)25(23,24)21-10-5-11-22-15(2)13-16-6-3-4-7-19(16)22/h3-4,6-9,12,15,21H,5,10-11,13H2,1-2H3
InChIKeyTWXLASVASNXTLM-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide
CID 133161449
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
CID 94200081
3-ethyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100726632
4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide
CID 110730096
4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113036671
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892809
4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267445
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide
CID 125063653
2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 125059686
4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 100696895
1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol
CID 82216735

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide (CID 133189855) is 4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCCN2c3ccccc3CC2C)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide?
The InChIKey is TWXLASVASNXTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-14-12-17(8-9-18(14)20)25(23,24)21-10-5-11-22-15(2)13-16-6-3-4-7-19(16)22/h3-4,6-9,12,15,21H,5,10-11,13H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide has a molecular weight of 362.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 133189855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).