1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine

C18H25N5O3S — CID 113016007

IUPAC1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(c3ccc(NS(=O)(=O)N(C)C)cn3)CC2)cc1
InChIInChI=1S/C18H25N5O3S/c1-21(2)27(24,25)20-15-4-9-18(19-14-15)23-12-10-22(11-13-23)16-5-7-17(26-3)8-6-16/h4-9,14,20H,10-13H2,1-3H3
InChIKeyFTRXBJPJFWWJPU-UHFFFAOYSA-N
MW391.50 g/mol
LogP1.64
Rot. Bonds6

About 1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine

1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine (PubChem CID 113016007) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine
PubChem CID113016007
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(c3ccc(NS(=O)(=O)N(C)C)cn3)CC2)cc1
InChIInChI=1S/C18H25N5O3S/c1-21(2)27(24,25)20-15-4-9-18(19-14-15)23-12-10-22(11-13-23)16-5-7-17(26-3)8-6-16/h4-9,14,20H,10-13H2,1-3H3
InChIKeyFTRXBJPJFWWJPU-UHFFFAOYSA-N
XLogP1.64
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate
CID 19032426
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113011180
1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine
CID 112984492
1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine
CID 110756624
2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 113013165
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
CID 113016001
1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 113028878
4-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine
CID 113015482
2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113010011
2-(dimethylsulfamoylamino)-5-pyrrolidin-1-ylpyridine
CID 113024377
5-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-amine
CID 80651957

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine (CID 113016007) is 1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(c3ccc(NS(=O)(=O)N(C)C)cn3)CC2)cc1.
What is the InChIKey of 1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine?
The InChIKey is FTRXBJPJFWWJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-21(2)27(24,25)20-15-4-9-18(19-14-15)23-12-10-22(11-13-23)16-5-7-17(26-3)8-6-16/h4-9,14,20H,10-13H2,1-3H3.
What are the key properties of 1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine?
1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine has a molecular weight of 391.50 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 113016007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).