2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline

C15H12ClFN2O2S — CID 57164165

IUPAC2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline
SMILESCc1[nH]c2ccc(F)cc2c1S(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C15H12ClFN2O2S/c1-8-15(11-6-9(17)2-5-14(11)19-8)22(20,21)10-3-4-13(18)12(16)7-10/h2-7,19H,18H2,1H3
InChIKeyKVQAZVADCGABQO-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.68
Rot. Bonds2

About 2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline

2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline (PubChem CID 57164165) has the molecular formula C15H12ClFN2O2S and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline.

Molecular Properties

Compound Name2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline
PubChem CID57164165
Molecular FormulaC15H12ClFN2O2S
Molecular Weight338.79 g/mol
Exact Mass338.03
IUPAC Name2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline
SMILESCc1[nH]c2ccc(F)cc2c1S(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C15H12ClFN2O2S/c1-8-15(11-6-9(17)2-5-14(11)19-8)22(20,21)10-3-4-13(18)12(16)7-10/h2-7,19H,18H2,1H3
InChIKeyKVQAZVADCGABQO-UHFFFAOYSA-N
XLogP3.68
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline?
The IUPAC name of 2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline (CID 57164165) is 2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline.
What is the SMILES notation for 2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline?
The canonical SMILES for 2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline is Cc1[nH]c2ccc(F)cc2c1S(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline?
The InChIKey is KVQAZVADCGABQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2S/c1-8-15(11-6-9(17)2-5-14(11)19-8)22(20,21)10-3-4-13(18)12(16)7-10/h2-7,19H,18H2,1H3.
What are the key properties of 2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline?
2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline has a molecular weight of 338.79 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline is sourced from PubChem (CID 57164165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).