3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C10H11FN4O2S2 — CID 116792346

IUPAC3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cc(N)c(C)c(F)c2)s1
InChIInChI=1S/C10H11FN4O2S2/c1-5-8(11)3-7(4-9(5)12)19(16,17)15-10-14-13-6(2)18-10/h3-4H,12H2,1-2H3,(H,14,15)
InChIKeyIISSAMSXCAGMTP-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.68
Rot. Bonds3

About 3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 116792346) has the molecular formula C10H11FN4O2S2 and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID116792346
Molecular FormulaC10H11FN4O2S2
Molecular Weight302.36 g/mol
Exact Mass302.03
IUPAC Name3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cc(N)c(C)c(F)c2)s1
InChIInChI=1S/C10H11FN4O2S2/c1-5-8(11)3-7(4-9(5)12)19(16,17)15-10-14-13-6(2)18-10/h3-4H,12H2,1-2H3,(H,14,15)
InChIKeyIISSAMSXCAGMTP-UHFFFAOYSA-N
XLogP1.68
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791735
4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 787282
3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzenesulfonamide
CID 115869758
3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 116791313
3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116792388
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 749784
3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 116792354
3-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 116791365
3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 116791990
3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 116791557
3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 116791808
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 174831503

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 116792346) is 3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1nnc(NS(=O)(=O)c2cc(N)c(C)c(F)c2)s1.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is IISSAMSXCAGMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S2/c1-5-8(11)3-7(4-9(5)12)19(16,17)15-10-14-13-6(2)18-10/h3-4H,12H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 116792346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).