4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide

C11H16FN3O2S — CID 47147073

IUPAC4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C11H16FN3O2S/c12-11-3-1-2-10(8-11)9-14-4-6-15(7-5-14)18(13,16)17/h1-3,8H,4-7,9H2,(H2,13,16,17)
InChIKeyQQBWEJWAVLTRAQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.15
Rot. Bonds3

About 4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide

4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide (PubChem CID 47147073) has the molecular formula C11H16FN3O2S and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide
PubChem CID47147073
Molecular FormulaC11H16FN3O2S
Molecular Weight273.33 g/mol
Exact Mass273.09
IUPAC Name4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C11H16FN3O2S/c12-11-3-1-2-10(8-11)9-14-4-6-15(7-5-14)18(13,16)17/h1-3,8H,4-7,9H2,(H2,13,16,17)
InChIKeyQQBWEJWAVLTRAQ-UHFFFAOYSA-N
XLogP0.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443809
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-sulfonamide
CID 47066558
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 17338187
1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine
CID 138041794
4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 17378915
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
2-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 62824164
4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 53191759

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide (CID 47147073) is 4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide?
The InChIKey is QQBWEJWAVLTRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2S/c12-11-3-1-2-10(8-11)9-14-4-6-15(7-5-14)18(13,16)17/h1-3,8H,4-7,9H2,(H2,13,16,17).
What are the key properties of 4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide?
4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide has a molecular weight of 273.33 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 47147073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).