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

C19H23N3O3S — CID 2983757

IUPACN-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O3S/c1-26(24,25)20-18-10-6-5-9-17(18)19(23)22-13-11-21(12-14-22)15-16-7-3-2-4-8-16/h2-10,20H,11-15H2,1H3
InChIKeyBOMJZVJJIFKBNA-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.02
Rot. Bonds5

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

N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 2983757) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID2983757
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O3S/c1-26(24,25)20-18-10-6-5-9-17(18)19(23)22-13-11-21(12-14-22)15-16-7-3-2-4-8-16/h2-10,20H,11-15H2,1H3
InChIKeyBOMJZVJJIFKBNA-UHFFFAOYSA-N
XLogP2.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 2337129
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 51164916
(4-benzylpiperazin-1-yl)-(2-propan-2-ylsulfanylphenyl)methanone
CID 9173471
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 38099687
N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55933429
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
3-(4-benzylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 26535449
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 59740832
N-[2-(azepane-1-carbonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38099909
N-[2-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
CID 86934979

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide (CID 2983757) is N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is BOMJZVJJIFKBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-26(24,25)20-18-10-6-5-9-17(18)19(23)22-13-11-21(12-14-22)15-16-7-3-2-4-8-16/h2-10,20H,11-15H2,1H3.
What are the key properties of N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 2983757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).