1-(4-methylphenyl)sulfonyl-5-[(Z)-3,3,3-trifluoroprop-1-enyl]indole

C18H14F3NO2S — CID 134952306

IUPAC1-(4-methylphenyl)sulfonyl-5-[(Z)-3,3,3-trifluoroprop-1-enyl]indole
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(/C=C\C(F)(F)F)ccc32)cc1
InChIInChI=1S/C18H14F3NO2S/c1-13-2-5-16(6-3-13)25(23,24)22-11-9-15-12-14(4-7-17(15)22)8-10-18(19,20)21/h2-12H,1H3/b10-8-
InChIKeyPNTGZNXTSZRFDL-NTMALXAHSA-N
MW365.38 g/mol
LogP4.76
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-5-[(Z)-3,3,3-trifluoroprop-1-enyl]indole

1-(4-methylphenyl)sulfonyl-5-[(Z)-3,3,3-trifluoroprop-1-enyl]indole (PubChem CID 134952306) has the molecular formula C18H14F3NO2S and a molecular weight of 365.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-5-[(Z)-3,3,3-trifluoroprop-1-enyl]indole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-5-[(Z)-3,3,3-trifluoroprop-1-enyl]indole
PubChem CID134952306
Molecular FormulaC18H14F3NO2S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Name1-(4-methylphenyl)sulfonyl-5-[(Z)-3,3,3-trifluoroprop-1-enyl]indole
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(/C=C\C(F)(F)F)ccc32)cc1
InChIInChI=1S/C18H14F3NO2S/c1-13-2-5-16(6-3-13)25(23,24)22-11-9-15-12-14(4-7-17(15)22)8-10-18(19,20)21/h2-12H,1H3/b10-8-
InChIKeyPNTGZNXTSZRFDL-NTMALXAHSA-N
XLogP4.76
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-5-[(Z)-3,3,3-trifluoroprop-1-enyl]indole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-5-[(Z)-3,3,3-trifluoroprop-1-enyl]indole (CID 134952306) is 1-(4-methylphenyl)sulfonyl-5-[(Z)-3,3,3-trifluoroprop-1-enyl]indole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-5-[(Z)-3,3,3-trifluoroprop-1-enyl]indole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-5-[(Z)-3,3,3-trifluoroprop-1-enyl]indole is Cc1ccc(S(=O)(=O)n2ccc3cc(/C=C\C(F)(F)F)ccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-5-[(Z)-3,3,3-trifluoroprop-1-enyl]indole?
The InChIKey is PNTGZNXTSZRFDL-NTMALXAHSA-N. The full InChI is InChI=1S/C18H14F3NO2S/c1-13-2-5-16(6-3-13)25(23,24)22-11-9-15-12-14(4-7-17(15)22)8-10-18(19,20)21/h2-12H,1H3/b10-8-.
What are the key properties of 1-(4-methylphenyl)sulfonyl-5-[(Z)-3,3,3-trifluoroprop-1-enyl]indole?
1-(4-methylphenyl)sulfonyl-5-[(Z)-3,3,3-trifluoroprop-1-enyl]indole has a molecular weight of 365.38 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-5-[(Z)-3,3,3-trifluoroprop-1-enyl]indole is sourced from PubChem (CID 134952306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).