2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide

C21H26FN3O4S — CID 50819060

IUPAC2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
SMILESCOc1ccccc1CN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccccc1F
InChIInChI=1S/C21H26FN3O4S/c1-29-20-9-5-2-6-17(20)16-24(21(26)18-7-3-4-8-19(18)22)14-15-30(27,28)25-12-10-23-11-13-25/h2-9,23H,10-16H2,1H3
InChIKeyQREJFXAAWHIRNT-UHFFFAOYSA-N
MW435.52 g/mol
LogP1.71
Rot. Bonds8

About 2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide

2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide (PubChem CID 50819060) has the molecular formula C21H26FN3O4S and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
PubChem CID50819060
Molecular FormulaC21H26FN3O4S
Molecular Weight435.52 g/mol
Exact Mass435.16
IUPAC Name2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
SMILESCOc1ccccc1CN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccccc1F
InChIInChI=1S/C21H26FN3O4S/c1-29-20-9-5-2-6-17(20)16-24(21(26)18-7-3-4-8-19(18)22)14-15-30(27,28)25-12-10-23-11-13-25/h2-9,23H,10-16H2,1H3
InChIKeyQREJFXAAWHIRNT-UHFFFAOYSA-N
XLogP1.71
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061515
2-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061605
2-fluoro-N-(3-methoxypropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061645
2-methoxy-N-(3-methylbutyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061557
N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 4552747
2-chloro-N-[(2S)-2-phenylpropyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 94090765
3-chloro-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057177
4-methoxy-N-[(3-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 154578421
methyl 2-(piperazin-1-ylsulfonylmethyl)benzoate
CID 119961744
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 1453722
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 54983695
4-chloro-N-[(2-methoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146074122

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The IUPAC name of 2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide (CID 50819060) is 2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide is COc1ccccc1CN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The InChIKey is QREJFXAAWHIRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4S/c1-29-20-9-5-2-6-17(20)16-24(21(26)18-7-3-4-8-19(18)22)14-15-30(27,28)25-12-10-23-11-13-25/h2-9,23H,10-16H2,1H3.
What are the key properties of 2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide has a molecular weight of 435.52 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide is sourced from PubChem (CID 50819060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).