N-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide

C14H23N3O3S — CID 61252728

IUPACN-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide
SMILESCCC(NS(=O)(=O)N1CCNCC1)c1ccccc1OC
InChIInChI=1S/C14H23N3O3S/c1-3-13(12-6-4-5-7-14(12)20-2)16-21(18,19)17-10-8-15-9-11-17/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyXZCRWUMMHYUYRD-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.89
Rot. Bonds6

About N-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide

N-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide (PubChem CID 61252728) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide
PubChem CID61252728
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide
SMILESCCC(NS(=O)(=O)N1CCNCC1)c1ccccc1OC
InChIInChI=1S/C14H23N3O3S/c1-3-13(12-6-4-5-7-14(12)20-2)16-21(18,19)17-10-8-15-9-11-17/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyXZCRWUMMHYUYRD-UHFFFAOYSA-N
XLogP0.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide?
The IUPAC name of N-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide (CID 61252728) is N-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide is CCC(NS(=O)(=O)N1CCNCC1)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide?
The InChIKey is XZCRWUMMHYUYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-13(12-6-4-5-7-14(12)20-2)16-21(18,19)17-10-8-15-9-11-17/h4-7,13,15-16H,3,8-11H2,1-2H3.
What are the key properties of N-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide?
N-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61252728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).