4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide

C20H25N3O3S — CID 3641567

IUPAC4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16-3-9-19(10-4-16)27(25,26)21-15-17-5-7-18(8-6-17)20(24)23-13-11-22(2)12-14-23/h3-10,21H,11-15H2,1-2H3
InChIKeyFHEBRXLDEAYDOX-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.86
Rot. Bonds5

About 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide

4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 3641567) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID3641567
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16-3-9-19(10-4-16)27(25,26)21-15-17-5-7-18(8-6-17)20(24)23-13-11-22(2)12-14-23/h3-10,21H,11-15H2,1-2H3
InChIKeyFHEBRXLDEAYDOX-UHFFFAOYSA-N
XLogP1.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641566
3-[(4-fluorophenyl)sulfonylamino]-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55708983
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407
4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide
CID 55957914
4-ethyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 110602635
N-ethyl-4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 32771990
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 86768049
N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 109059876
N-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide
CID 56537927
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
4-[2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]ethyl]benzenesulfonamide
CID 177234133
4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 109060439

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide (CID 3641567) is 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is FHEBRXLDEAYDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16-3-9-19(10-4-16)27(25,26)21-15-17-5-7-18(8-6-17)20(24)23-13-11-22(2)12-14-23/h3-10,21H,11-15H2,1-2H3.
What are the key properties of 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3641567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).