3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C12H14FN3O3S2 — CID 19109341

IUPAC3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCCc1nnc(NS(=O)(=O)c2ccc(OC)c(F)c2)s1
InChIInChI=1S/C12H14FN3O3S2/c1-3-4-11-14-15-12(20-11)16-21(17,18)8-5-6-10(19-2)9(13)7-8/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyHCIKNBKDIFAISC-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.44
Rot. Bonds6

About 3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 19109341) has the molecular formula C12H14FN3O3S2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID19109341
Molecular FormulaC12H14FN3O3S2
Molecular Weight331.39 g/mol
Exact Mass331.05
IUPAC Name3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCCc1nnc(NS(=O)(=O)c2ccc(OC)c(F)c2)s1
InChIInChI=1S/C12H14FN3O3S2/c1-3-4-11-14-15-12(20-11)16-21(17,18)8-5-6-10(19-2)9(13)7-8/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyHCIKNBKDIFAISC-UHFFFAOYSA-N
XLogP2.44
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 19109341) is 3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CCCc1nnc(NS(=O)(=O)c2ccc(OC)c(F)c2)s1.
What is the InChIKey of 3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is HCIKNBKDIFAISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S2/c1-3-4-11-14-15-12(20-11)16-21(17,18)8-5-6-10(19-2)9(13)7-8/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 331.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 19109341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).