2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C10H10F2N4O2S2 — CID 155278638

IUPAC2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCNc1cc(F)c(S(=O)(=O)Nc2ncns2)c(F)c1C
InChIInChI=1S/C10H10F2N4O2S2/c1-5-7(13-2)3-6(11)9(8(5)12)20(17,18)16-10-14-4-15-19-10/h3-4,13H,1-2H3,(H,14,15,16)
InChIKeyDBNGROURPXCEDQ-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.97
Rot. Bonds4

About 2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 155278638) has the molecular formula C10H10F2N4O2S2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID155278638
Molecular FormulaC10H10F2N4O2S2
Molecular Weight320.35 g/mol
Exact Mass320.02
IUPAC Name2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCNc1cc(F)c(S(=O)(=O)Nc2ncns2)c(F)c1C
InChIInChI=1S/C10H10F2N4O2S2/c1-5-7(13-2)3-6(11)9(8(5)12)20(17,18)16-10-14-4-15-19-10/h3-4,13H,1-2H3,(H,14,15,16)
InChIKeyDBNGROURPXCEDQ-UHFFFAOYSA-N
XLogP1.97
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,4-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 141365411
N-methyl-1,2,4-thiadiazol-5-amine;hydrochloride
CID 118342763
5-chloro-2-fluoro-4-[4-(hydroxyamino)butylamino]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 129258417
3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 129251701
4-(8-aminooctylamino)-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 158367208
5-chloro-2-fluoro-4-[4-[2-(propylamino)ethylamino]butylamino]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 129258459
5-chloro-2-fluoro-4-[[(2S)-2-(methylamino)-3-phenylpropyl]amino]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 130454787
4-[[2-[3-(ethylamino)propylamino]-4-fluorophenyl]methylamino]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 146450777
tert-butyl N-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-N-hydroxycarbamate
CID 170092063
4-[4-[(1-aminocyclopropyl)-methylamino]butylamino]-5-bromo-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 129251802
5-bromo-2-fluoro-4-[6-(3-hydroxyazetidin-3-yl)hexylamino]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 152889703
5-fluoro-3-[[(2S)-2-methylcyclopropyl]methyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide
CID 137382312

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 155278638) is 2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is CNc1cc(F)c(S(=O)(=O)Nc2ncns2)c(F)c1C.
What is the InChIKey of 2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is DBNGROURPXCEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O2S2/c1-5-7(13-2)3-6(11)9(8(5)12)20(17,18)16-10-14-4-15-19-10/h3-4,13H,1-2H3,(H,14,15,16).
What are the key properties of 2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 320.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 155278638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).