6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide

C15H11ClF3N5O2S — CID 176710968

IUPAC6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide
SMILESN#Cc1c(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)cnn1CCC(F)(F)F
InChIInChI=1S/C15H11ClF3N5O2S/c16-9-1-2-10-11(5-9)21-8-14(10)27(25,26)23-12-7-22-24(13(12)6-20)4-3-15(17,18)19/h1-2,5,7-8,21,23H,3-4H2
InChIKeyISTZSWWXRJCBAG-UHFFFAOYSA-N
MW417.80 g/mol
LogP3.64
Rot. Bonds5

About 6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide

6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide (PubChem CID 176710968) has the molecular formula C15H11ClF3N5O2S and a molecular weight of 417.80 g/mol. Its IUPAC name is 6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide
PubChem CID176710968
Molecular FormulaC15H11ClF3N5O2S
Molecular Weight417.80 g/mol
Exact Mass417.03
IUPAC Name6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide
SMILESN#Cc1c(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)cnn1CCC(F)(F)F
InChIInChI=1S/C15H11ClF3N5O2S/c16-9-1-2-10-11(5-9)21-8-14(10)27(25,26)23-12-7-22-24(13(12)6-20)4-3-15(17,18)19/h1-2,5,7-8,21,23H,3-4H2
InChIKeyISTZSWWXRJCBAG-UHFFFAOYSA-N
XLogP3.64
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.80
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide (CID 176710968) is 6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide is N#Cc1c(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)cnn1CCC(F)(F)F.
What is the InChIKey of 6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide?
The InChIKey is ISTZSWWXRJCBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N5O2S/c16-9-1-2-10-11(5-9)21-8-14(10)27(25,26)23-12-7-22-24(13(12)6-20)4-3-15(17,18)19/h1-2,5,7-8,21,23H,3-4H2.
What are the key properties of 6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide?
6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide has a molecular weight of 417.80 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 176710968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).