5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide

C18H11ClF3N5O3S — CID 10227064

IUPAC5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ncco3)c(Cl)c2)cn1
InChIInChI=1S/C18H11ClF3N5O3S/c19-13-7-10(1-3-12(13)17-24-5-6-30-17)14-8-15(18(20,21)22)26-27(14)11-2-4-16(25-9-11)31(23,28)29/h1-9H,(H2,23,28,29)
InChIKeyBNLDPUKXOFMIEX-UHFFFAOYSA-N
MW469.83 g/mol
LogP3.91
Rot. Bonds4

About 5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide

5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide (PubChem CID 10227064) has the molecular formula C18H11ClF3N5O3S and a molecular weight of 469.83 g/mol. Its IUPAC name is 5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide
PubChem CID10227064
Molecular FormulaC18H11ClF3N5O3S
Molecular Weight469.83 g/mol
Exact Mass469.02
IUPAC Name5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ncco3)c(Cl)c2)cn1
InChIInChI=1S/C18H11ClF3N5O3S/c19-13-7-10(1-3-12(13)17-24-5-6-30-17)14-8-15(18(20,21)22)26-27(14)11-2-4-16(25-9-11)31(23,28)29/h1-9H,(H2,23,28,29)
InChIKeyBNLDPUKXOFMIEX-UHFFFAOYSA-N
XLogP3.91
TPSA116.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.83
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide?
The IUPAC name of 5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide (CID 10227064) is 5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide?
The canonical SMILES for 5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ncco3)c(Cl)c2)cn1.
What is the InChIKey of 5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide?
The InChIKey is BNLDPUKXOFMIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N5O3S/c19-13-7-10(1-3-12(13)17-24-5-6-30-17)14-8-15(18(20,21)22)26-27(14)11-2-4-16(25-9-11)31(23,28)29/h1-9H,(H2,23,28,29).
What are the key properties of 5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide?
5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide has a molecular weight of 469.83 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 10227064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).