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

C18H12ClF2N5O3S2 — CID 71718664

IUPAC5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCn1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1Cl
InChIInChI=1S/C18H12ClF2N5O3S2/c1-26-14(4-5-23-26)11-6-10(20)2-3-15(11)29-16-8-13(21)17(7-12(16)19)31(27,28)25-18-24-22-9-30-18/h2-9H,1H3,(H,24,25)
InChIKeyAKGBZJSQVQEKFA-UHFFFAOYSA-N
MW483.91 g/mol
LogP4.46
Rot. Bonds6

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

5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 71718664) has the molecular formula C18H12ClF2N5O3S2 and a molecular weight of 483.91 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID71718664
Molecular FormulaC18H12ClF2N5O3S2
Molecular Weight483.91 g/mol
Exact Mass483.00
IUPAC Name5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCn1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1Cl
InChIInChI=1S/C18H12ClF2N5O3S2/c1-26-14(4-5-23-26)11-6-10(20)2-3-15(11)29-16-8-13(21)17(7-12(16)19)31(27,28)25-18-24-22-9-30-18/h2-9H,1H3,(H,24,25)
InChIKeyAKGBZJSQVQEKFA-UHFFFAOYSA-N
XLogP4.46
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.91
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 71718664) is 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cn1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1Cl.
What is the InChIKey of 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is AKGBZJSQVQEKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N5O3S2/c1-26-14(4-5-23-26)11-6-10(20)2-3-15(11)29-16-8-13(21)17(7-12(16)19)31(27,28)25-18-24-22-9-30-18/h2-9H,1H3,(H,24,25).
What are the key properties of 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 483.91 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71718664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).