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

C11H11F2N3O2S2 — CID 145285088

IUPAC2,5-difluoro-4-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCC(C)c1cc(F)c(S(=O)(=O)Nc2ncns2)cc1F
InChIInChI=1S/C11H11F2N3O2S2/c1-6(2)7-3-9(13)10(4-8(7)12)20(17,18)16-11-14-5-15-19-11/h3-6H,1-2H3,(H,14,15,16)
InChIKeyASEWRJBJGVBVSW-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.74
Rot. Bonds4

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

2,5-difluoro-4-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 145285088) has the molecular formula C11H11F2N3O2S2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2,5-difluoro-4-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID145285088
Molecular FormulaC11H11F2N3O2S2
Molecular Weight319.36 g/mol
Exact Mass319.03
IUPAC Name2,5-difluoro-4-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCC(C)c1cc(F)c(S(=O)(=O)Nc2ncns2)cc1F
InChIInChI=1S/C11H11F2N3O2S2/c1-6(2)7-3-9(13)10(4-8(7)12)20(17,18)16-11-14-5-15-19-11/h3-6H,1-2H3,(H,14,15,16)
InChIKeyASEWRJBJGVBVSW-UHFFFAOYSA-N
XLogP2.74
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-Amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide
CID 651962
2,3-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 66905309
3-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 66905458
2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 66905667
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
4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 108480991
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

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 145285088) is 2,5-difluoro-4-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is CC(C)c1cc(F)c(S(=O)(=O)Nc2ncns2)cc1F.
What is the InChIKey of 2,5-difluoro-4-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is ASEWRJBJGVBVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S2/c1-6(2)7-3-9(13)10(4-8(7)12)20(17,18)16-11-14-5-15-19-11/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 2,5-difluoro-4-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
2,5-difluoro-4-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 319.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 145285088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).