1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide

C20H21FN2O3S — CID 26531299

IUPAC1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N(Cc3ccc(F)cc3)C3CC3)ccc21
InChIInChI=1S/C20H21FN2O3S/c1-14(24)22-11-10-16-12-19(8-9-20(16)22)27(25,26)23(18-6-7-18)13-15-2-4-17(21)5-3-15/h2-5,8-9,12,18H,6-7,10-11,13H2,1H3
InChIKeyIMOJKSQSBUJSIQ-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.09
Rot. Bonds5

About 1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 26531299) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID26531299
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N(Cc3ccc(F)cc3)C3CC3)ccc21
InChIInChI=1S/C20H21FN2O3S/c1-14(24)22-11-10-16-12-19(8-9-20(16)22)27(25,26)23(18-6-7-18)13-15-2-4-17(21)5-3-15/h2-5,8-9,12,18H,6-7,10-11,13H2,1H3
InChIKeyIMOJKSQSBUJSIQ-UHFFFAOYSA-N
XLogP3.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 55598121
1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 55913793
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine
CID 158402644
1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 39419247
N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 26531285
1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide
CID 119994113
1-acetyl-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 115776398
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 167782754
1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 52561459
1-acetyl-N-ethyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 3242578
1-acetyl-N-cyclopropyl-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60539684
1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 117036710

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 26531299) is 1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)N(Cc3ccc(F)cc3)C3CC3)ccc21.
What is the InChIKey of 1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is IMOJKSQSBUJSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-14(24)22-11-10-16-12-19(8-9-20(16)22)27(25,26)23(18-6-7-18)13-15-2-4-17(21)5-3-15/h2-5,8-9,12,18H,6-7,10-11,13H2,1H3.
What are the key properties of 1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 388.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26531299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).