2-(difluoromethoxy)-N-[4-(difluoromethoxy)-3-piperazin-1-ylphenyl]benzenesulfonamide

C18H19F4N3O4S — CID 42602794

IUPAC2-(difluoromethoxy)-N-[4-(difluoromethoxy)-3-piperazin-1-ylphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)c(N2CCNCC2)c1)c1ccccc1OC(F)F
InChIInChI=1S/C18H19F4N3O4S/c19-17(20)28-14-6-5-12(11-13(14)25-9-7-23-8-10-25)24-30(26,27)16-4-2-1-3-15(16)29-18(21)22/h1-6,11,17-18,23-24H,7-10H2
InChIKeyUXVZAGZQHKMWEI-UHFFFAOYSA-N
MW449.43 g/mol
LogP3.10
Rot. Bonds8

About 2-(difluoromethoxy)-N-[4-(difluoromethoxy)-3-piperazin-1-ylphenyl]benzenesulfonamide

2-(difluoromethoxy)-N-[4-(difluoromethoxy)-3-piperazin-1-ylphenyl]benzenesulfonamide (PubChem CID 42602794) has the molecular formula C18H19F4N3O4S and a molecular weight of 449.43 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[4-(difluoromethoxy)-3-piperazin-1-ylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[4-(difluoromethoxy)-3-piperazin-1-ylphenyl]benzenesulfonamide
PubChem CID42602794
Molecular FormulaC18H19F4N3O4S
Molecular Weight449.43 g/mol
Exact Mass449.10
IUPAC Name2-(difluoromethoxy)-N-[4-(difluoromethoxy)-3-piperazin-1-ylphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)c(N2CCNCC2)c1)c1ccccc1OC(F)F
InChIInChI=1S/C18H19F4N3O4S/c19-17(20)28-14-6-5-12(11-13(14)25-9-7-23-8-10-25)24-30(26,27)16-4-2-1-3-15(16)29-18(21)22/h1-6,11,17-18,23-24H,7-10H2
InChIKeyUXVZAGZQHKMWEI-UHFFFAOYSA-N
XLogP3.10
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[4-(difluoromethoxy)-3-piperazin-1-ylphenyl]benzenesulfonamide?
The IUPAC name of 2-(difluoromethoxy)-N-[4-(difluoromethoxy)-3-piperazin-1-ylphenyl]benzenesulfonamide (CID 42602794) is 2-(difluoromethoxy)-N-[4-(difluoromethoxy)-3-piperazin-1-ylphenyl]benzenesulfonamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[4-(difluoromethoxy)-3-piperazin-1-ylphenyl]benzenesulfonamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[4-(difluoromethoxy)-3-piperazin-1-ylphenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(OC(F)F)c(N2CCNCC2)c1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[4-(difluoromethoxy)-3-piperazin-1-ylphenyl]benzenesulfonamide?
The InChIKey is UXVZAGZQHKMWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N3O4S/c19-17(20)28-14-6-5-12(11-13(14)25-9-7-23-8-10-25)24-30(26,27)16-4-2-1-3-15(16)29-18(21)22/h1-6,11,17-18,23-24H,7-10H2.
What are the key properties of 2-(difluoromethoxy)-N-[4-(difluoromethoxy)-3-piperazin-1-ylphenyl]benzenesulfonamide?
2-(difluoromethoxy)-N-[4-(difluoromethoxy)-3-piperazin-1-ylphenyl]benzenesulfonamide has a molecular weight of 449.43 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[4-(difluoromethoxy)-3-piperazin-1-ylphenyl]benzenesulfonamide is sourced from PubChem (CID 42602794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).