4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide

C18H16F3N5O2S — CID 59177061

IUPAC4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(C(F)(F)F)cc21
InChIInChI=1S/C18H16F3N5O2S/c1-3-26-15-8-16(18(19,20)21)23-10-14(15)24-17(26)11(2)25-29(27,28)13-6-4-12(9-22)5-7-13/h4-8,10-11,25H,3H2,1-2H3/t11-/m1/s1
InChIKeyBJZZSKJUCCWQND-LLVKDONJSA-N
MW423.42 g/mol
LogP3.38
Rot. Bonds5

About 4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide

4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide (PubChem CID 59177061) has the molecular formula C18H16F3N5O2S and a molecular weight of 423.42 g/mol. Its IUPAC name is 4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide
PubChem CID59177061
Molecular FormulaC18H16F3N5O2S
Molecular Weight423.42 g/mol
Exact Mass423.10
IUPAC Name4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(C(F)(F)F)cc21
InChIInChI=1S/C18H16F3N5O2S/c1-3-26-15-8-16(18(19,20)21)23-10-14(15)24-17(26)11(2)25-29(27,28)13-6-4-12(9-22)5-7-13/h4-8,10-11,25H,3H2,1-2H3/t11-/m1/s1
InChIKeyBJZZSKJUCCWQND-LLVKDONJSA-N
XLogP3.38
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide (CID 59177061) is 4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide is CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(C(F)(F)F)cc21.
What is the InChIKey of 4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide?
The InChIKey is BJZZSKJUCCWQND-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16F3N5O2S/c1-3-26-15-8-16(18(19,20)21)23-10-14(15)24-17(26)11(2)25-29(27,28)13-6-4-12(9-22)5-7-13/h4-8,10-11,25H,3H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide?
4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide has a molecular weight of 423.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 59177061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).