5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide

C21H15ClF2N2O2S — CID 66546526

IUPAC5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccc(F)cc2F)cc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H15ClF2N2O2S/c22-16-5-8-20-15(9-16)10-21(26-20)29(27,28)25-12-13-1-3-14(4-2-13)18-7-6-17(23)11-19(18)24/h1-11,25-26H,12H2
InChIKeyHDOZXLRUUDIYEY-UHFFFAOYSA-N
MW432.88 g/mol
LogP5.24
Rot. Bonds5

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

5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide (PubChem CID 66546526) has the molecular formula C21H15ClF2N2O2S and a molecular weight of 432.88 g/mol. Its IUPAC name is 5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
PubChem CID66546526
Molecular FormulaC21H15ClF2N2O2S
Molecular Weight432.88 g/mol
Exact Mass432.05
IUPAC Name5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccc(F)cc2F)cc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H15ClF2N2O2S/c22-16-5-8-20-15(9-16)10-21(26-20)29(27,28)25-12-13-1-3-14(4-2-13)18-7-6-17(23)11-19(18)24/h1-11,25-26H,12H2
InChIKeyHDOZXLRUUDIYEY-UHFFFAOYSA-N
XLogP5.24
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.88
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
The IUPAC name of 5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide (CID 66546526) is 5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide is O=S(=O)(NCc1ccc(-c2ccc(F)cc2F)cc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
The InChIKey is HDOZXLRUUDIYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N2O2S/c22-16-5-8-20-15(9-16)10-21(26-20)29(27,28)25-12-13-1-3-14(4-2-13)18-7-6-17(23)11-19(18)24/h1-11,25-26H,12H2.
What are the key properties of 5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide has a molecular weight of 432.88 g/mol, XLogP of 5.24, 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-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide is sourced from PubChem (CID 66546526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).