N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide

C24H14F6N4O2S2 — CID 23589893

IUPACN-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C24H14F6N4O2S2/c25-23(26,27)14-9-13(10-15(11-14)24(28,29)30)22-17-12-16(4-5-18(17)32-33-22)34-38(35,36)21-7-6-20(37-21)19-3-1-2-8-31-19/h1-12,34H,(H,32,33)
InChIKeyXYDMXZFYIZOLOP-UHFFFAOYSA-N
MW568.52 g/mol
LogP7.19
Rot. Bonds5

About N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide

N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide (PubChem CID 23589893) has the molecular formula C24H14F6N4O2S2 and a molecular weight of 568.52 g/mol. Its IUPAC name is N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
PubChem CID23589893
Molecular FormulaC24H14F6N4O2S2
Molecular Weight568.52 g/mol
Exact Mass568.05
IUPAC NameN-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C24H14F6N4O2S2/c25-23(26,27)14-9-13(10-15(11-14)24(28,29)30)22-17-12-16(4-5-18(17)32-33-22)34-38(35,36)21-7-6-20(37-21)19-3-1-2-8-31-19/h1-12,34H,(H,32,33)
InChIKeyXYDMXZFYIZOLOP-UHFFFAOYSA-N
XLogP7.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.52
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide (CID 23589893) is N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide is O=S(=O)(Nc1ccc2[nH]nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1)c1ccc(-c2ccccn2)s1.
What is the InChIKey of N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The InChIKey is XYDMXZFYIZOLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F6N4O2S2/c25-23(26,27)14-9-13(10-15(11-14)24(28,29)30)22-17-12-16(4-5-18(17)32-33-22)34-38(35,36)21-7-6-20(37-21)19-3-1-2-8-31-19/h1-12,34H,(H,32,33).
What are the key properties of N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide?
N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide has a molecular weight of 568.52 g/mol, XLogP of 7.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 23589893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).