1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C18H19FN6O2S — CID 35416687

IUPAC1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H19FN6O2S/c1-23(2)28(26,27)16-7-8-17-14(11-16)9-10-24(17)12-25-21-18(20-22-25)13-3-5-15(19)6-4-13/h3-8,11H,9-10,12H2,1-2H3
InChIKeyJDICJALQFPQNKS-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.75
Rot. Bonds5

About 1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 35416687) has the molecular formula C18H19FN6O2S and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID35416687
Molecular FormulaC18H19FN6O2S
Molecular Weight402.46 g/mol
Exact Mass402.13
IUPAC Name1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H19FN6O2S/c1-23(2)28(26,27)16-7-8-17-14(11-16)9-10-24(17)12-25-21-18(20-22-25)13-3-5-15(19)6-4-13/h3-8,11H,9-10,12H2,1-2H3
InChIKeyJDICJALQFPQNKS-UHFFFAOYSA-N
XLogP1.75
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 35416687) is 1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cn1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is JDICJALQFPQNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2S/c1-23(2)28(26,27)16-7-8-17-14(11-16)9-10-24(17)12-25-21-18(20-22-25)13-3-5-15(19)6-4-13/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 402.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 35416687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).