4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

C10H8F3N3O3S2 — CID 3151633

IUPAC4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C10H8F3N3O3S2/c1-19-6-2-4-7(5-3-6)21(17,18)16-9-15-14-8(20-9)10(11,12)13/h2-5H,1H3,(H,15,16)
InChIKeyJDNAPWHNHUWDPD-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.37
Rot. Bonds4

About 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (PubChem CID 3151633) has the molecular formula C10H8F3N3O3S2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
PubChem CID3151633
Molecular FormulaC10H8F3N3O3S2
Molecular Weight339.32 g/mol
Exact Mass339.00
IUPAC Name4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C10H8F3N3O3S2/c1-19-6-2-4-7(5-3-6)21(17,18)16-9-15-14-8(20-9)10(11,12)13/h2-5H,1H3,(H,15,16)
InChIKeyJDNAPWHNHUWDPD-UHFFFAOYSA-N
XLogP2.37
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (CID 3151633) is 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)cc1.
What is the InChIKey of 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The InChIKey is JDNAPWHNHUWDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3S2/c1-19-6-2-4-7(5-3-6)21(17,18)16-9-15-14-8(20-9)10(11,12)13/h2-5H,1H3,(H,15,16).
What are the key properties of 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide has a molecular weight of 339.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 3151633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).