4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide

C19H13ClF2N4O3S2 — CID 71716220

IUPAC4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESCn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1F
InChIInChI=1S/C19H13ClF2N4O3S2/c1-26-15(4-5-24-26)12-6-11(20)2-3-16(12)29-17-7-14(22)18(8-13(17)21)31(27,28)25-19-9-30-10-23-19/h2-10,25H,1H3
InChIKeyBZCGDQIXZFJFHT-UHFFFAOYSA-N
MW482.92 g/mol
LogP5.07
Rot. Bonds6

About 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide

4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 71716220) has the molecular formula C19H13ClF2N4O3S2 and a molecular weight of 482.92 g/mol. Its IUPAC name is 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID71716220
Molecular FormulaC19H13ClF2N4O3S2
Molecular Weight482.92 g/mol
Exact Mass482.01
IUPAC Name4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESCn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1F
InChIInChI=1S/C19H13ClF2N4O3S2/c1-26-15(4-5-24-26)12-6-11(20)2-3-16(12)29-17-7-14(22)18(8-13(17)21)31(27,28)25-19-9-30-10-23-19/h2-10,25H,1H3
InChIKeyBZCGDQIXZFJFHT-UHFFFAOYSA-N
XLogP5.07
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.92
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide (CID 71716220) is 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide is Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1F.
What is the InChIKey of 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is BZCGDQIXZFJFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N4O3S2/c1-26-15(4-5-24-26)12-6-11(20)2-3-16(12)29-17-7-14(22)18(8-13(17)21)31(27,28)25-19-9-30-10-23-19/h2-10,25H,1H3.
What are the key properties of 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide?
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 482.92 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 71716220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).