5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C8H4ClF2N3O2S2 — CID 145181941

IUPAC5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(Cl)c(F)cc1F
InChIInChI=1S/C8H4ClF2N3O2S2/c9-4-1-7(6(11)2-5(4)10)18(15,16)14-8-12-3-13-17-8/h1-3H,(H,12,13,14)
InChIKeySJZSRYLKFRRFQS-UHFFFAOYSA-N
MW311.72 g/mol
LogP2.27
Rot. Bonds3

About 5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 145181941) has the molecular formula C8H4ClF2N3O2S2 and a molecular weight of 311.72 g/mol. Its IUPAC name is 5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID145181941
Molecular FormulaC8H4ClF2N3O2S2
Molecular Weight311.72 g/mol
Exact Mass310.94
IUPAC Name5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(Cl)c(F)cc1F
InChIInChI=1S/C8H4ClF2N3O2S2/c9-4-1-7(6(11)2-5(4)10)18(15,16)14-8-12-3-13-17-8/h1-3H,(H,12,13,14)
InChIKeySJZSRYLKFRRFQS-UHFFFAOYSA-N
XLogP2.27
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 145181941) is 5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1cc(Cl)c(F)cc1F.
What is the InChIKey of 5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is SJZSRYLKFRRFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2N3O2S2/c9-4-1-7(6(11)2-5(4)10)18(15,16)14-8-12-3-13-17-8/h1-3H,(H,12,13,14).
What are the key properties of 5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 311.72 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 145181941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).