N-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]thiophene-3-sulfonamide

C18H12F2N4O2S2 — CID 44621733

IUPACN-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(-c2[nH]ncc2-c2ccncc2)c1F)c1ccsc1
InChIInChI=1S/C18H12F2N4O2S2/c19-14-1-2-15(24-28(25,26)12-5-8-27-10-12)17(20)16(14)18-13(9-22-23-18)11-3-6-21-7-4-11/h1-10,24H,(H,22,23)
InChIKeyIOYMJLUOIVBAOG-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.28
Rot. Bonds5

About N-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]thiophene-3-sulfonamide

N-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]thiophene-3-sulfonamide (PubChem CID 44621733) has the molecular formula C18H12F2N4O2S2 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]thiophene-3-sulfonamide
PubChem CID44621733
Molecular FormulaC18H12F2N4O2S2
Molecular Weight418.45 g/mol
Exact Mass418.04
IUPAC NameN-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(-c2[nH]ncc2-c2ccncc2)c1F)c1ccsc1
InChIInChI=1S/C18H12F2N4O2S2/c19-14-1-2-15(24-28(25,26)12-5-8-27-10-12)17(20)16(14)18-13(9-22-23-18)11-3-6-21-7-4-11/h1-10,24H,(H,22,23)
InChIKeyIOYMJLUOIVBAOG-UHFFFAOYSA-N
XLogP4.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]thiophene-3-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]thiophene-3-sulfonamide (CID 44621733) is N-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]thiophene-3-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]thiophene-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(-c2[nH]ncc2-c2ccncc2)c1F)c1ccsc1.
What is the InChIKey of N-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]thiophene-3-sulfonamide?
The InChIKey is IOYMJLUOIVBAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2S2/c19-14-1-2-15(24-28(25,26)12-5-8-27-10-12)17(20)16(14)18-13(9-22-23-18)11-3-6-21-7-4-11/h1-10,24H,(H,22,23).
What are the key properties of N-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]thiophene-3-sulfonamide?
N-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]thiophene-3-sulfonamide has a molecular weight of 418.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 44621733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).