5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide

C22H18ClFN2O2S — CID 155510384

IUPAC5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)ccc1-c1ccc(F)cc1
InChIInChI=1S/C22H18ClFN2O2S/c1-14-10-15(2-8-20(14)16-3-6-19(24)7-4-16)13-25-29(27,28)22-12-17-11-18(23)5-9-21(17)26-22/h2-12,25-26H,13H2,1H3
InChIKeyQLKXPEZGDBEJPH-UHFFFAOYSA-N
MW428.92 g/mol
LogP5.41
Rot. Bonds5

About 5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide

5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide (PubChem CID 155510384) has the molecular formula C22H18ClFN2O2S and a molecular weight of 428.92 g/mol. Its IUPAC name is 5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide
PubChem CID155510384
Molecular FormulaC22H18ClFN2O2S
Molecular Weight428.92 g/mol
Exact Mass428.08
IUPAC Name5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)ccc1-c1ccc(F)cc1
InChIInChI=1S/C22H18ClFN2O2S/c1-14-10-15(2-8-20(14)16-3-6-19(24)7-4-16)13-25-29(27,28)22-12-17-11-18(23)5-9-21(17)26-22/h2-12,25-26H,13H2,1H3
InChIKeyQLKXPEZGDBEJPH-UHFFFAOYSA-N
XLogP5.41
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
CID 66546526
N-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-indole-2-sulfonamide
CID 163568065
4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide
CID 66547074
N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide
CID 66547075
1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide
CID 110604340
5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
CID 66546898
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene
CID 155259476
N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 24581067
6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one
CID 166443744

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide?
The IUPAC name of 5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide (CID 155510384) is 5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide is Cc1cc(CNS(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)ccc1-c1ccc(F)cc1.
What is the InChIKey of 5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide?
The InChIKey is QLKXPEZGDBEJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2S/c1-14-10-15(2-8-20(14)16-3-6-19(24)7-4-16)13-25-29(27,28)22-12-17-11-18(23)5-9-21(17)26-22/h2-12,25-26H,13H2,1H3.
What are the key properties of 5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide?
5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide has a molecular weight of 428.92 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide is sourced from PubChem (CID 155510384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).