N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide

C10H11FN4O2S2 — CID 82176884

IUPACN-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nnc(-c2ccc(F)c(N)c2)s1
InChIInChI=1S/C10H11FN4O2S2/c1-2-19(16,17)15-10-14-13-9(18-10)6-3-4-7(11)8(12)5-6/h3-5H,2,12H2,1H3,(H,14,15)
InChIKeyYUJPKRFCUZUZDI-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.69
Rot. Bonds4

About N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide

N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide (PubChem CID 82176884) has the molecular formula C10H11FN4O2S2 and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide
PubChem CID82176884
Molecular FormulaC10H11FN4O2S2
Molecular Weight302.36 g/mol
Exact Mass302.03
IUPAC NameN-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nnc(-c2ccc(F)c(N)c2)s1
InChIInChI=1S/C10H11FN4O2S2/c1-2-19(16,17)15-10-14-13-9(18-10)6-3-4-7(11)8(12)5-6/h3-5H,2,12H2,1H3,(H,14,15)
InChIKeyYUJPKRFCUZUZDI-UHFFFAOYSA-N
XLogP1.69
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide?
The IUPAC name of N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide (CID 82176884) is N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide?
The canonical SMILES for N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide is CCS(=O)(=O)Nc1nnc(-c2ccc(F)c(N)c2)s1.
What is the InChIKey of N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide?
The InChIKey is YUJPKRFCUZUZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S2/c1-2-19(16,17)15-10-14-13-9(18-10)6-3-4-7(11)8(12)5-6/h3-5H,2,12H2,1H3,(H,14,15).
What are the key properties of N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide?
N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide is sourced from PubChem (CID 82176884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).