N-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide

C19H23N3O3S — CID 1019171

IUPACN-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCN(c1ccccc1C(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C19H23N3O3S/c1-20(26(2,24)25)18-11-7-6-10-17(18)19(23)22-14-12-21(13-15-22)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
InChIKeyNYRAKNRMGPCMCG-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.04
Rot. Bonds4

About N-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide

N-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 1019171) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID1019171
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCN(c1ccccc1C(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C19H23N3O3S/c1-20(26(2,24)25)18-11-7-6-10-17(18)19(23)22-14-12-21(13-15-22)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
InChIKeyNYRAKNRMGPCMCG-UHFFFAOYSA-N
XLogP2.04
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide (CID 1019171) is N-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide is CN(c1ccccc1C(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is NYRAKNRMGPCMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-20(26(2,24)25)18-11-7-6-10-17(18)19(23)22-14-12-21(13-15-22)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
N-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 1019171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).