N-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide

C18H23N3O3S — CID 14998851

IUPACN-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OCC2CN(c3ccccc3)CCN2)cc1
InChIInChI=1S/C18H23N3O3S/c1-25(22,23)20-15-7-9-18(10-8-15)24-14-16-13-21(12-11-19-16)17-5-3-2-4-6-17/h2-10,16,19-20H,11-14H2,1H3
InChIKeyAOWVAMXBGYCCHV-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.92
Rot. Bonds6

About N-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide

N-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide (PubChem CID 14998851) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide
PubChem CID14998851
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OCC2CN(c3ccccc3)CCN2)cc1
InChIInChI=1S/C18H23N3O3S/c1-25(22,23)20-15-7-9-18(10-8-15)24-14-16-13-21(12-11-19-16)17-5-3-2-4-6-17/h2-10,16,19-20H,11-14H2,1H3
InChIKeyAOWVAMXBGYCCHV-UHFFFAOYSA-N
XLogP1.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide (CID 14998851) is N-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(OCC2CN(c3ccccc3)CCN2)cc1.
What is the InChIKey of N-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide?
The InChIKey is AOWVAMXBGYCCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-25(22,23)20-15-7-9-18(10-8-15)24-14-16-13-21(12-11-19-16)17-5-3-2-4-6-17/h2-10,16,19-20H,11-14H2,1H3.
What are the key properties of N-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide?
N-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide has a molecular weight of 361.47 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 14998851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).