1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine

C19H26N4O3S — CID 112984492

IUPAC1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(c2ccc(NS(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C19H26N4O3S/c1-21(2)27(24,25)20-16-8-10-17(11-9-16)22-12-14-23(15-13-22)18-6-4-5-7-19(18)26-3/h4-11,20H,12-15H2,1-3H3
InChIKeyXBZXSNIGAOADML-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.24
Rot. Bonds6

About 1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine

1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 112984492) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine
PubChem CID112984492
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(c2ccc(NS(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C19H26N4O3S/c1-21(2)27(24,25)20-16-8-10-17(11-9-16)22-12-14-23(15-13-22)18-6-4-5-7-19(18)26-3/h4-11,20H,12-15H2,1-3H3
InChIKeyXBZXSNIGAOADML-UHFFFAOYSA-N
XLogP2.24
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine
CID 110756624
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]acetamide
CID 44590474
1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 110756594
1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
CID 110284680
1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine
CID 113016007
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide
CID 112984474
1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine
CID 112502794
4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 112985417
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-azabicyclo[3.2.2]nonane
CID 57317137
1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole
CID 112989581
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
CID 112984476
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine (CID 112984492) is 1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(c2ccc(NS(=O)(=O)N(C)C)cc2)CC1.
What is the InChIKey of 1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is XBZXSNIGAOADML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-21(2)27(24,25)20-16-8-10-17(11-9-16)22-12-14-23(15-13-22)18-6-4-5-7-19(18)26-3/h4-11,20H,12-15H2,1-3H3.
What are the key properties of 1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine?
1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 390.51 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 112984492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).