3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide

C11H13FN4O2S2 — CID 106260683

IUPAC3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)c2ncccc2F)s1
InChIInChI=1S/C11H13FN4O2S2/c1-7(2)6-9-14-15-11(19-9)16-20(17,18)10-8(12)4-3-5-13-10/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyWLBMXPHRWHTPKB-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.07
Rot. Bonds5

About 3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide

3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide (PubChem CID 106260683) has the molecular formula C11H13FN4O2S2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide
PubChem CID106260683
Molecular FormulaC11H13FN4O2S2
Molecular Weight316.38 g/mol
Exact Mass316.05
IUPAC Name3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)c2ncccc2F)s1
InChIInChI=1S/C11H13FN4O2S2/c1-7(2)6-9-14-15-11(19-9)16-20(17,18)10-8(12)4-3-5-13-10/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyWLBMXPHRWHTPKB-UHFFFAOYSA-N
XLogP2.07
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Ethyl-5-(1-(pyridin-3-ylsulfonyl)piperidin-4-yl)-1,3,4-thiadiazole
CID 30864211
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide
CID 71851447
N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
CID 71970105
4-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 856730
4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 35523682
3-fluoro-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71858213
4-fluoro-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71858215
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75476459
5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
CID 84588436
N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-fluoropyridine-2-sulfonamide
CID 103298527
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide
CID 103298532
2-[[5-[(3-Fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 103298753

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide (CID 106260683) is 3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide is CC(C)Cc1nnc(NS(=O)(=O)c2ncccc2F)s1.
What is the InChIKey of 3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide?
The InChIKey is WLBMXPHRWHTPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S2/c1-7(2)6-9-14-15-11(19-9)16-20(17,18)10-8(12)4-3-5-13-10/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of 3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide?
3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 106260683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).