2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C12H15FN4O2S2 — CID 106081167

IUPAC2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCC(C)NCc1ccc(F)c(S(=O)(=O)Nc2nncs2)c1
InChIInChI=1S/C12H15FN4O2S2/c1-8(2)14-6-9-3-4-10(13)11(5-9)21(18,19)17-12-16-15-7-20-12/h3-5,7-8,14H,6H2,1-2H3,(H,16,17)
InChIKeyFBFXODQWXWXVOI-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.98
Rot. Bonds6

About 2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 106081167) has the molecular formula C12H15FN4O2S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID106081167
Molecular FormulaC12H15FN4O2S2
Molecular Weight330.41 g/mol
Exact Mass330.06
IUPAC Name2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCC(C)NCc1ccc(F)c(S(=O)(=O)Nc2nncs2)c1
InChIInChI=1S/C12H15FN4O2S2/c1-8(2)14-6-9-3-4-10(13)11(5-9)21(18,19)17-12-16-15-7-20-12/h3-5,7-8,14H,6H2,1-2H3,(H,16,17)
InChIKeyFBFXODQWXWXVOI-UHFFFAOYSA-N
XLogP1.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(propan-2-ylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081200
5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081210
2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102701408
4-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081280
1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
CID 106081278
4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 75389571
2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031681
5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide
CID 106081244
4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081250
2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163353225
5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031635
2-fluoro-5-[(propan-2-ylamino)methyl]benzoic acid
CID 117222086

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 106081167) is 2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is CC(C)NCc1ccc(F)c(S(=O)(=O)Nc2nncs2)c1.
What is the InChIKey of 2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is FBFXODQWXWXVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S2/c1-8(2)14-6-9-3-4-10(13)11(5-9)21(18,19)17-12-16-15-7-20-12/h3-5,7-8,14H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106081167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).