N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide

C10H11FN4O2S3 — CID 135347485

IUPACN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide
SMILESNc1nnc(SCCNS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C10H11FN4O2S3/c11-7-1-3-8(4-2-7)20(16,17)13-5-6-18-10-15-14-9(12)19-10/h1-4,13H,5-6H2,(H2,12,14)
InChIKeyZKEPTLNFUOGHLP-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.33
Rot. Bonds6

About N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide

N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide (PubChem CID 135347485) has the molecular formula C10H11FN4O2S3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide
PubChem CID135347485
Molecular FormulaC10H11FN4O2S3
Molecular Weight334.42 g/mol
Exact Mass334.00
IUPAC NameN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide
SMILESNc1nnc(SCCNS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C10H11FN4O2S3/c11-7-1-3-8(4-2-7)20(16,17)13-5-6-18-10-15-14-9(12)19-10/h1-4,13H,5-6H2,(H2,12,14)
InChIKeyZKEPTLNFUOGHLP-UHFFFAOYSA-N
XLogP1.33
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-methylbenzenesulfonamide
CID 2197756
4-fluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]benzenesulfonamide
CID 135347426
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide
CID 46785999
N-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide
CID 2345318
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide
CID 24659819
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide
CID 92659518
4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47298915
2-[4-[2-[(4-fluorophenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid
CID 10249487
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 75406437
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide (CID 135347485) is N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide is Nc1nnc(SCCNS(=O)(=O)c2ccc(F)cc2)s1.
What is the InChIKey of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is ZKEPTLNFUOGHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S3/c11-7-1-3-8(4-2-7)20(16,17)13-5-6-18-10-15-14-9(12)19-10/h1-4,13H,5-6H2,(H2,12,14).
What are the key properties of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide?
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 135347485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).