3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide

C16H20FN5O2S2 — CID 10150727

IUPAC3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCCCNc1nsc2nccn12)c1cccc(F)c1
InChIInChI=1S/C16H20FN5O2S2/c17-13-6-5-7-14(12-13)26(23,24)20-9-4-2-1-3-8-18-15-21-25-16-19-10-11-22(15)16/h5-7,10-12,20H,1-4,8-9H2,(H,18,21)
InChIKeyCNUOSCIQJWTNGZ-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.88
Rot. Bonds10

About 3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide

3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide (PubChem CID 10150727) has the molecular formula C16H20FN5O2S2 and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide
PubChem CID10150727
Molecular FormulaC16H20FN5O2S2
Molecular Weight397.50 g/mol
Exact Mass397.10
IUPAC Name3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCCCNc1nsc2nccn12)c1cccc(F)c1
InChIInChI=1S/C16H20FN5O2S2/c17-13-6-5-7-14(12-13)26(23,24)20-9-4-2-1-3-8-18-15-21-25-16-19-10-11-22(15)16/h5-7,10-12,20H,1-4,8-9H2,(H,18,21)
InChIKeyCNUOSCIQJWTNGZ-UHFFFAOYSA-N
XLogP2.88
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]-2-nitrobenzenesulfonamide
CID 10194682
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide
CID 23442657
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexyl]-3-fluorobenzenesulfonamide
CID 21092396
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-fluorobenzenesulfonamide
CID 56943596
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
3-[(3-fluorophenyl)sulfonylamino]propanethioamide
CID 62666138
3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206339
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-fluorobenzenesulfonamide
CID 121074810

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide (CID 10150727) is 3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide is O=S(=O)(NCCCCCCNc1nsc2nccn12)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide?
The InChIKey is CNUOSCIQJWTNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2S2/c17-13-6-5-7-14(12-13)26(23,24)20-9-4-2-1-3-8-18-15-21-25-16-19-10-11-22(15)16/h5-7,10-12,20H,1-4,8-9H2,(H,18,21).
What are the key properties of 3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide?
3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide is sourced from PubChem (CID 10150727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).