N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide

C12H18FN3O2S — CID 54979213

IUPACN-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C12H18FN3O2S/c1-15(10-11-2-4-12(13)5-3-11)19(17,18)16-8-6-14-7-9-16/h2-5,14H,6-10H2,1H3
InChIKeyQYHGRDUTTLNPBJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.41
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide

N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide (PubChem CID 54979213) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide
PubChem CID54979213
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C12H18FN3O2S/c1-15(10-11-2-4-12(13)5-3-11)19(17,18)16-8-6-14-7-9-16/h2-5,14H,6-10H2,1H3
InChIKeyQYHGRDUTTLNPBJ-UHFFFAOYSA-N
XLogP0.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide (CID 54979213) is N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide is CN(Cc1ccc(F)cc1)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide?
The InChIKey is QYHGRDUTTLNPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c1-15(10-11-2-4-12(13)5-3-11)19(17,18)16-8-6-14-7-9-16/h2-5,14H,6-10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide?
N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide has a molecular weight of 287.36 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 54979213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).