4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide

C20H27N3O4S — CID 57334968

IUPAC4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)c1ccc(OC)c(N2CCN(C)CC2)c1
InChIInChI=1S/C20H27N3O4S/c1-22-10-12-23(13-11-22)19-14-17(8-9-20(19)27-3)28(24,25)21-18-7-5-4-6-16(18)15-26-2/h4-9,14,21H,10-13,15H2,1-3H3
InChIKeyVIRKBZJGXRVGAF-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.39
Rot. Bonds7

About 4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide

4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 57334968) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID57334968
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)c1ccc(OC)c(N2CCN(C)CC2)c1
InChIInChI=1S/C20H27N3O4S/c1-22-10-12-23(13-11-22)19-14-17(8-9-20(19)27-3)28(24,25)21-18-7-5-4-6-16(18)15-26-2/h4-9,14,21H,10-13,15H2,1-3H3
InChIKeyVIRKBZJGXRVGAF-UHFFFAOYSA-N
XLogP2.39
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide (CID 57334968) is 4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide is COCc1ccccc1NS(=O)(=O)c1ccc(OC)c(N2CCN(C)CC2)c1.
What is the InChIKey of 4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is VIRKBZJGXRVGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-22-10-12-23(13-11-22)19-14-17(8-9-20(19)27-3)28(24,25)21-18-7-5-4-6-16(18)15-26-2/h4-9,14,21H,10-13,15H2,1-3H3.
What are the key properties of 4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide?
4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 57334968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).