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

C18H24N4O2S — CID 14998852

IUPACN-[4-[(4-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCC2CN(c3ccccc3)CCN2)cc1
InChIInChI=1S/C18H24N4O2S/c1-25(23,24)21-16-9-7-15(8-10-16)20-13-17-14-22(12-11-19-17)18-5-3-2-4-6-18/h2-10,17,19-21H,11-14H2,1H3
InChIKeyLJZGGUYZECFQST-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.95
Rot. Bonds6

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

N-[4-[(4-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 14998852) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[4-[(4-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide
PubChem CID14998852
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[4-[(4-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCC2CN(c3ccccc3)CCN2)cc1
InChIInChI=1S/C18H24N4O2S/c1-25(23,24)21-16-9-7-15(8-10-16)20-13-17-14-22(12-11-19-17)18-5-3-2-4-6-18/h2-10,17,19-21H,11-14H2,1H3
InChIKeyLJZGGUYZECFQST-UHFFFAOYSA-N
XLogP1.95
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(4-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide (CID 14998852) is N-[4-[(4-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(4-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(4-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NCC2CN(c3ccccc3)CCN2)cc1.
What is the InChIKey of N-[4-[(4-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is LJZGGUYZECFQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-25(23,24)21-16-9-7-15(8-10-16)20-13-17-14-22(12-11-19-17)18-5-3-2-4-6-18/h2-10,17,19-21H,11-14H2,1H3.
What are the key properties of N-[4-[(4-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide?
N-[4-[(4-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 14998852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).