N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide

C24H15F4N3O2S2 — CID 46832515

IUPACN-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1)c1ccsc1
InChIInChI=1S/C24H15F4N3O2S2/c25-17-2-5-19(6-3-17)31-23-8-1-15(11-16(23)13-29-31)21-7-4-18(12-22(21)24(26,27)28)30-35(32,33)20-9-10-34-14-20/h1-14,30H
InChIKeyYDGNXSOLWOOFRO-UHFFFAOYSA-N
MW517.53 g/mol
LogP6.71
Rot. Bonds5

About N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide

N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide (PubChem CID 46832515) has the molecular formula C24H15F4N3O2S2 and a molecular weight of 517.53 g/mol. Its IUPAC name is N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
PubChem CID46832515
Molecular FormulaC24H15F4N3O2S2
Molecular Weight517.53 g/mol
Exact Mass517.05
IUPAC NameN-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1)c1ccsc1
InChIInChI=1S/C24H15F4N3O2S2/c25-17-2-5-19(6-3-17)31-23-8-1-15(11-16(23)13-29-31)21-7-4-18(12-22(21)24(26,27)28)30-35(32,33)20-9-10-34-14-20/h1-14,30H
InChIKeyYDGNXSOLWOOFRO-UHFFFAOYSA-N
XLogP6.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.53
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide?
The IUPAC name of N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide (CID 46832515) is N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide?
The canonical SMILES for N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide is O=S(=O)(Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1)c1ccsc1.
What is the InChIKey of N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide?
The InChIKey is YDGNXSOLWOOFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F4N3O2S2/c25-17-2-5-19(6-3-17)31-23-8-1-15(11-16(23)13-29-31)21-7-4-18(12-22(21)24(26,27)28)30-35(32,33)20-9-10-34-14-20/h1-14,30H.
What are the key properties of N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide?
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide has a molecular weight of 517.53 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 46832515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).