N-[2-(3,4-difluorophenyl)sulfonyl-5-piperazin-1-ylphenyl]-N-methylacetamide

C19H21F2N3O3S — CID 10201560

IUPACN-[2-(3,4-difluorophenyl)sulfonyl-5-piperazin-1-ylphenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C19H21F2N3O3S/c1-13(25)23(2)18-11-14(24-9-7-22-8-10-24)3-6-19(18)28(26,27)15-4-5-16(20)17(21)12-15/h3-6,11-12,22H,7-10H2,1-2H3
InChIKeyIYSLOGYDURLZJH-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.19
Rot. Bonds4

About N-[2-(3,4-difluorophenyl)sulfonyl-5-piperazin-1-ylphenyl]-N-methylacetamide

N-[2-(3,4-difluorophenyl)sulfonyl-5-piperazin-1-ylphenyl]-N-methylacetamide (PubChem CID 10201560) has the molecular formula C19H21F2N3O3S and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)sulfonyl-5-piperazin-1-ylphenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)sulfonyl-5-piperazin-1-ylphenyl]-N-methylacetamide
PubChem CID10201560
Molecular FormulaC19H21F2N3O3S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC NameN-[2-(3,4-difluorophenyl)sulfonyl-5-piperazin-1-ylphenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C19H21F2N3O3S/c1-13(25)23(2)18-11-14(24-9-7-22-8-10-24)3-6-19(18)28(26,27)15-4-5-16(20)17(21)12-15/h3-6,11-12,22H,7-10H2,1-2H3
InChIKeyIYSLOGYDURLZJH-UHFFFAOYSA-N
XLogP2.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)sulfonyl-5-piperazin-1-ylphenyl]-N-methylacetamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)sulfonyl-5-piperazin-1-ylphenyl]-N-methylacetamide (CID 10201560) is N-[2-(3,4-difluorophenyl)sulfonyl-5-piperazin-1-ylphenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)sulfonyl-5-piperazin-1-ylphenyl]-N-methylacetamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)sulfonyl-5-piperazin-1-ylphenyl]-N-methylacetamide is CC(=O)N(C)c1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)sulfonyl-5-piperazin-1-ylphenyl]-N-methylacetamide?
The InChIKey is IYSLOGYDURLZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3S/c1-13(25)23(2)18-11-14(24-9-7-22-8-10-24)3-6-19(18)28(26,27)15-4-5-16(20)17(21)12-15/h3-6,11-12,22H,7-10H2,1-2H3.
What are the key properties of N-[2-(3,4-difluorophenyl)sulfonyl-5-piperazin-1-ylphenyl]-N-methylacetamide?
N-[2-(3,4-difluorophenyl)sulfonyl-5-piperazin-1-ylphenyl]-N-methylacetamide has a molecular weight of 409.46 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)sulfonyl-5-piperazin-1-ylphenyl]-N-methylacetamide is sourced from PubChem (CID 10201560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).