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

C17H11Cl2N5O3S2 — CID 71716289

IUPAC3-chloro-4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(Cl)cc2-c2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C17H11Cl2N5O3S2/c18-10-1-3-15(12(7-10)14-5-6-21-23-14)27-16-4-2-11(8-13(16)19)29(25,26)24-17-20-9-22-28-17/h1-9H,(H,21,23)(H,20,22,24)
InChIKeyQSDQKMXUDONFLJ-UHFFFAOYSA-N
MW468.35 g/mol
LogP4.83
Rot. Bonds6

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

3-chloro-4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 71716289) has the molecular formula C17H11Cl2N5O3S2 and a molecular weight of 468.35 g/mol. Its IUPAC name is 3-chloro-4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID71716289
Molecular FormulaC17H11Cl2N5O3S2
Molecular Weight468.35 g/mol
Exact Mass466.97
IUPAC Name3-chloro-4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(Cl)cc2-c2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C17H11Cl2N5O3S2/c18-10-1-3-15(12(7-10)14-5-6-21-23-14)27-16-4-2-11(8-13(16)19)29(25,26)24-17-20-9-22-28-17/h1-9H,(H,21,23)(H,20,22,24)
InChIKeyQSDQKMXUDONFLJ-UHFFFAOYSA-N
XLogP4.83
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.35
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 71716289) is 3-chloro-4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(Cl)cc2-c2ccn[nH]2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is QSDQKMXUDONFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5O3S2/c18-10-1-3-15(12(7-10)14-5-6-21-23-14)27-16-4-2-11(8-13(16)19)29(25,26)24-17-20-9-22-28-17/h1-9H,(H,21,23)(H,20,22,24).
What are the key properties of 3-chloro-4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
3-chloro-4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 468.35 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71716289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).