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

C17H14FN3O2S2 — CID 119047604

IUPAC4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C2(c3ccccc3)CC2)s1)c1ccc(F)cc1
InChIInChI=1S/C17H14FN3O2S2/c18-13-6-8-14(9-7-13)25(22,23)21-16-20-19-15(24-16)17(10-11-17)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21)
InChIKeyQCTVGUGAJFLOPV-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.56
Rot. Bonds5

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

4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (PubChem CID 119047604) has the molecular formula C17H14FN3O2S2 and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
PubChem CID119047604
Molecular FormulaC17H14FN3O2S2
Molecular Weight375.45 g/mol
Exact Mass375.05
IUPAC Name4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C2(c3ccccc3)CC2)s1)c1ccc(F)cc1
InChIInChI=1S/C17H14FN3O2S2/c18-13-6-8-14(9-7-13)25(22,23)21-16-20-19-15(24-16)17(10-11-17)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21)
InChIKeyQCTVGUGAJFLOPV-UHFFFAOYSA-N
XLogP3.56
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 46701457
4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 787282
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
CID 3590275
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 66905609
4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide
CID 110446070
4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 1451440
2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119048449
2,4-dimethyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 154754382
N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 87198601
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 4915020
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3745144
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (CID 119047604) is 4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is O=S(=O)(Nc1nnc(C2(c3ccccc3)CC2)s1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The InChIKey is QCTVGUGAJFLOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S2/c18-13-6-8-14(9-7-13)25(22,23)21-16-20-19-15(24-16)17(10-11-17)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21).
What are the key properties of 4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 119047604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).