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

C19H12ClF3N4O3S2 — CID 71718059

IUPACN-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]benzenesulfonamide
SMILESCn1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2ncc(Cl)s2)cc1F
InChIInChI=1S/C19H12ClF3N4O3S2/c1-27-14(4-5-25-27)11-6-10(21)2-3-15(11)30-16-7-13(23)17(8-12(16)22)32(28,29)26-19-24-9-18(20)31-19/h2-9H,1H3,(H,24,26)
InChIKeyIYVMGWWXEPCKLB-UHFFFAOYSA-N
MW500.91 g/mol
LogP5.21
Rot. Bonds6

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

N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]benzenesulfonamide (PubChem CID 71718059) has the molecular formula C19H12ClF3N4O3S2 and a molecular weight of 500.91 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]benzenesulfonamide
PubChem CID71718059
Molecular FormulaC19H12ClF3N4O3S2
Molecular Weight500.91 g/mol
Exact Mass500.00
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]benzenesulfonamide
SMILESCn1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2ncc(Cl)s2)cc1F
InChIInChI=1S/C19H12ClF3N4O3S2/c1-27-14(4-5-25-27)11-6-10(21)2-3-15(11)30-16-7-13(23)17(8-12(16)22)32(28,29)26-19-24-9-18(20)31-19/h2-9H,1H3,(H,24,26)
InChIKeyIYVMGWWXEPCKLB-UHFFFAOYSA-N
XLogP5.21
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.91
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]benzenesulfonamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]benzenesulfonamide (CID 71718059) is N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]benzenesulfonamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]benzenesulfonamide is Cn1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2ncc(Cl)s2)cc1F.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]benzenesulfonamide?
The InChIKey is IYVMGWWXEPCKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O3S2/c1-27-14(4-5-25-27)11-6-10(21)2-3-15(11)30-16-7-13(23)17(8-12(16)22)32(28,29)26-19-24-9-18(20)31-19/h2-9H,1H3,(H,24,26).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]benzenesulfonamide?
N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]benzenesulfonamide has a molecular weight of 500.91 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 71718059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).