N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide

C21H17FN2O2S — CID 66547073

IUPACN-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccc(F)cc2)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H17FN2O2S/c22-19-11-9-17(10-12-19)16-7-5-15(6-8-16)14-23-27(25,26)21-13-18-3-1-2-4-20(18)24-21/h1-13,23-24H,14H2
InChIKeyZYXQIXCJTWOQOB-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.45
Rot. Bonds5

About N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide

N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide (PubChem CID 66547073) has the molecular formula C21H17FN2O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
PubChem CID66547073
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC NameN-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccc(F)cc2)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H17FN2O2S/c22-19-11-9-17(10-12-19)16-7-5-15(6-8-16)14-23-27(25,26)21-13-18-3-1-2-4-20(18)24-21/h1-13,23-24H,14H2
InChIKeyZYXQIXCJTWOQOB-UHFFFAOYSA-N
XLogP4.45
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
N-{2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 11677372
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methylphenyl)benzene-1-sulfonamide
CID 24825381
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzene-1-sulfonamide
CID 24825382
4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CID 24825383
N-[2-(1H-indol-3-yl)ethyl]-4-[4-(propan-2-yl)phenyl]benzene-1-sulfonamide
CID 24825384
4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CID 24825385
N-[2-(1H-indol-3-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]benzene-1-sulfonamide
CID 24825386

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
The IUPAC name of N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide (CID 66547073) is N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide is O=S(=O)(NCc1ccc(-c2ccc(F)cc2)cc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
The InChIKey is ZYXQIXCJTWOQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c22-19-11-9-17(10-12-19)16-7-5-15(6-8-16)14-23-27(25,26)21-13-18-3-1-2-4-20(18)24-21/h1-13,23-24H,14H2.
What are the key properties of N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide has a molecular weight of 380.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide is sourced from PubChem (CID 66547073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).