N-[2-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide

C19H25N3O3S — CID 57335128

IUPACN-[2-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)c1ccc(C)c(N2CCNCC2)c1
InChIInChI=1S/C19H25N3O3S/c1-15-7-8-17(13-19(15)22-11-9-20-10-12-22)26(23,24)21-18-6-4-3-5-16(18)14-25-2/h3-8,13,20-21H,9-12,14H2,1-2H3
InChIKeyRFVGCLFTYQHKNZ-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.35
Rot. Bonds6

About N-[2-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide

N-[2-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide (PubChem CID 57335128) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide
PubChem CID57335128
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[2-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)c1ccc(C)c(N2CCNCC2)c1
InChIInChI=1S/C19H25N3O3S/c1-15-7-8-17(13-19(15)22-11-9-20-10-12-22)26(23,24)21-18-6-4-3-5-16(18)14-25-2/h3-8,13,20-21H,9-12,14H2,1-2H3
InChIKeyRFVGCLFTYQHKNZ-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide (CID 57335128) is N-[2-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide is COCc1ccccc1NS(=O)(=O)c1ccc(C)c(N2CCNCC2)c1.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide?
The InChIKey is RFVGCLFTYQHKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-15-7-8-17(13-19(15)22-11-9-20-10-12-22)26(23,24)21-18-6-4-3-5-16(18)14-25-2/h3-8,13,20-21H,9-12,14H2,1-2H3.
What are the key properties of N-[2-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide?
N-[2-(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-[2-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 57335128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).