N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide

C11H16ClN3O2S — CID 28775763

IUPACN-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C11H16ClN3O2S/c12-11-4-2-1-3-10(11)9-14-18(16,17)15-7-5-13-6-8-15/h1-4,13-14H,5-9H2
InChIKeyLYFNQWDJIVPUAX-UHFFFAOYSA-N
MW289.79 g/mol
LogP0.58
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide

N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide (PubChem CID 28775763) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide
PubChem CID28775763
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC NameN-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C11H16ClN3O2S/c12-11-4-2-1-3-10(11)9-14-18(16,17)15-7-5-13-6-8-15/h1-4,13-14H,5-9H2
InChIKeyLYFNQWDJIVPUAX-UHFFFAOYSA-N
XLogP0.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide (CID 28775763) is N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide is O=S(=O)(NCc1ccccc1Cl)N1CCNCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide?
The InChIKey is LYFNQWDJIVPUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c12-11-4-2-1-3-10(11)9-14-18(16,17)15-7-5-13-6-8-15/h1-4,13-14H,5-9H2.
What are the key properties of N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide?
N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide has a molecular weight of 289.79 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 28775763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).