N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide

C19H25N3O3S — CID 56963265

IUPACN-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2ccc(C)c(N3CCNCC3)c2)c1
InChIInChI=1S/C19H25N3O3S/c1-15-6-7-18(13-19(15)22-10-8-20-9-11-22)26(23,24)21-17-5-3-4-16(12-17)14-25-2/h3-7,12-13,20-21H,8-11,14H2,1-2H3
InChIKeyQSZKEUGVLSYSFQ-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.35
Rot. Bonds6

About N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide

N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide (PubChem CID 56963265) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide
PubChem CID56963265
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2ccc(C)c(N3CCNCC3)c2)c1
InChIInChI=1S/C19H25N3O3S/c1-15-6-7-18(13-19(15)22-10-8-20-9-11-22)26(23,24)21-17-5-3-4-16(12-17)14-25-2/h3-7,12-13,20-21H,8-11,14H2,1-2H3
InChIKeyQSZKEUGVLSYSFQ-UHFFFAOYSA-N
XLogP2.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 56963264
N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide
CID 95050814
4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 57334668
3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 106611620
N-[3-(difluoromethoxy)phenyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 66744407
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-4-methyl-3-piperazin-1-ylbenzenesulfonamide
CID 56652729
3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide
CID 22272481
4-[[3-(methoxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43701071
4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 87026734
N-[3-(difluoromethoxy)phenyl]-4-methyl-3-(4-methyl-1,4-diazepan-1-yl)benzenesulfonamide;hydrochloride
CID 66745265
N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 11849196
N-butan-2-yl-5-[(3,4-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 50822883

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide (CID 56963265) is N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide is COCc1cccc(NS(=O)(=O)c2ccc(C)c(N3CCNCC3)c2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide?
The InChIKey is QSZKEUGVLSYSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-15-6-7-18(13-19(15)22-10-8-20-9-11-22)26(23,24)21-17-5-3-4-16(12-17)14-25-2/h3-7,12-13,20-21H,8-11,14H2,1-2H3.
What are the key properties of N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide?
N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 56963265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).