3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethoxy)phenyl]benzamide

C20H21F2N3O5S — CID 4876426

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethoxy)phenyl]benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(F)F)cc3)c2)CC1
InChIInChI=1S/C20H21F2N3O5S/c1-14(26)24-9-11-25(12-10-24)31(28,29)18-4-2-3-15(13-18)19(27)23-16-5-7-17(8-6-16)30-20(21)22/h2-8,13,20H,9-12H2,1H3,(H,23,27)
InChIKeyHHZPZGOQQIVQEI-UHFFFAOYSA-N
MW453.47 g/mol
LogP2.39
Rot. Bonds6

About 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethoxy)phenyl]benzamide

3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethoxy)phenyl]benzamide (PubChem CID 4876426) has the molecular formula C20H21F2N3O5S and a molecular weight of 453.47 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethoxy)phenyl]benzamide
PubChem CID4876426
Molecular FormulaC20H21F2N3O5S
Molecular Weight453.47 g/mol
Exact Mass453.12
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethoxy)phenyl]benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(F)F)cc3)c2)CC1
InChIInChI=1S/C20H21F2N3O5S/c1-14(26)24-9-11-25(12-10-24)31(28,29)18-4-2-3-15(13-18)19(27)23-16-5-7-17(8-6-16)30-20(21)22/h2-8,13,20H,9-12H2,1H3,(H,23,27)
InChIKeyHHZPZGOQQIVQEI-UHFFFAOYSA-N
XLogP2.39
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethoxy)phenyl]benzamide (CID 4876426) is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethoxy)phenyl]benzamide is CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(F)F)cc3)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethoxy)phenyl]benzamide?
The InChIKey is HHZPZGOQQIVQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O5S/c1-14(26)24-9-11-25(12-10-24)31(28,29)18-4-2-3-15(13-18)19(27)23-16-5-7-17(8-6-16)30-20(21)22/h2-8,13,20H,9-12H2,1H3,(H,23,27).
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethoxy)phenyl]benzamide?
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethoxy)phenyl]benzamide has a molecular weight of 453.47 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 4876426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).