N-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-indole-2-sulfonamide

C22H19FN2O2S — CID 163568065

IUPACN-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-indole-2-sulfonamide
SMILESCc1ccc2[nH]c(S(=O)(=O)NCc3ccc(-c4ccc(F)cc4)cc3)cc2c1
InChIInChI=1S/C22H19FN2O2S/c1-15-2-11-21-19(12-15)13-22(25-21)28(26,27)24-14-16-3-5-17(6-4-16)18-7-9-20(23)10-8-18/h2-13,24-25H,14H2,1H3
InChIKeyFWWXADRXPZCKTA-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.76
Rot. Bonds5

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

N-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-indole-2-sulfonamide (PubChem CID 163568065) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-indole-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-indole-2-sulfonamide
PubChem CID163568065
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC NameN-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-indole-2-sulfonamide
SMILESCc1ccc2[nH]c(S(=O)(=O)NCc3ccc(-c4ccc(F)cc4)cc3)cc2c1
InChIInChI=1S/C22H19FN2O2S/c1-15-2-11-21-19(12-15)13-22(25-21)28(26,27)24-14-16-3-5-17(6-4-16)18-7-9-20(23)10-8-18/h2-13,24-25H,14H2,1H3
InChIKeyFWWXADRXPZCKTA-UHFFFAOYSA-N
XLogP4.76
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide
CID 155510384
5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
CID 66546526
5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide
CID 66547074
N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide
CID 66547075
5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
CID 66546898
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
N-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide
CID 123705159
N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110427813
2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzenesulfonamide
CID 110666142
2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572415
4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 60985509
(5-methyl-1H-indol-2-yl)-[[4-(4-phenylphenyl)sulfonylphenyl]methylamino]methanol
CID 138592968

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-indole-2-sulfonamide?
The IUPAC name of N-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-indole-2-sulfonamide (CID 163568065) is N-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-indole-2-sulfonamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-indole-2-sulfonamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-indole-2-sulfonamide is Cc1ccc2[nH]c(S(=O)(=O)NCc3ccc(-c4ccc(F)cc4)cc3)cc2c1.
What is the InChIKey of N-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-indole-2-sulfonamide?
The InChIKey is FWWXADRXPZCKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c1-15-2-11-21-19(12-15)13-22(25-21)28(26,27)24-14-16-3-5-17(6-4-16)18-7-9-20(23)10-8-18/h2-13,24-25H,14H2,1H3.
What are the key properties of N-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-indole-2-sulfonamide?
N-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-indole-2-sulfonamide has a molecular weight of 394.47 g/mol, XLogP of 4.76, 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]-5-methyl-1H-indole-2-sulfonamide is sourced from PubChem (CID 163568065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).