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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Related Compounds

3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
CID 106089691
3-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 19203801
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide
CID 3414696
4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 35539079
N-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide
CID 100668497
3,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 68654278
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 108802688
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
3,4-dimethoxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100759457
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
methyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 122135831

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).