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

C9H6ClF2N3O2S2 — CID 135284298

IUPAC4-(chloromethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(CCl)cc1F
InChIInChI=1S/C9H6ClF2N3O2S2/c10-3-5-1-7(12)8(2-6(5)11)19(16,17)15-9-13-4-14-18-9/h1-2,4H,3H2,(H,13,14,15)
InChIKeyKDYOLECXJAGOMI-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.36
Rot. Bonds4

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

4-(chloromethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 135284298) has the molecular formula C9H6ClF2N3O2S2 and a molecular weight of 325.75 g/mol. Its IUPAC name is 4-(chloromethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(chloromethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID135284298
Molecular FormulaC9H6ClF2N3O2S2
Molecular Weight325.75 g/mol
Exact Mass324.96
IUPAC Name4-(chloromethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(CCl)cc1F
InChIInChI=1S/C9H6ClF2N3O2S2/c10-3-5-1-7(12)8(2-6(5)11)19(16,17)15-9-13-4-14-18-9/h1-2,4H,3H2,(H,13,14,15)
InChIKeyKDYOLECXJAGOMI-UHFFFAOYSA-N
XLogP2.36
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 66905309
2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 66905805
N-(1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 89615706
3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 117599760
3,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 117600506
5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 129264627
2,4,5-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 134586405
4-(1-chloroethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 135284088
2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 141077080
N-[5-chloro-4-(chloromethyl)-2-fluorophenyl]sulfanyl-1,2,4-thiadiazol-5-amine
CID 145181819
5-chloro-4-(chloromethyl)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 145181820
5-chloro-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 145181941

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(chloromethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 135284298) is 4-(chloromethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(chloromethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(chloromethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1cc(F)c(CCl)cc1F.
What is the InChIKey of 4-(chloromethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is KDYOLECXJAGOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF2N3O2S2/c10-3-5-1-7(12)8(2-6(5)11)19(16,17)15-9-13-4-14-18-9/h1-2,4H,3H2,(H,13,14,15).
What are the key properties of 4-(chloromethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
4-(chloromethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 325.75 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 135284298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).