N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide

C17H21N5O4S — CID 167898519

IUPACN-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESO=[N+]([O-])c1cccnc1N1CCN(CCNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H21N5O4S/c23-22(24)16-7-4-8-18-17(16)21-13-11-20(12-14-21)10-9-19-27(25,26)15-5-2-1-3-6-15/h1-8,19H,9-14H2
InChIKeyJICWVXXLTIKVMI-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.09
Rot. Bonds7

About N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide

N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 167898519) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide
PubChem CID167898519
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC NameN-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESO=[N+]([O-])c1cccnc1N1CCN(CCNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H21N5O4S/c23-22(24)16-7-4-8-18-17(16)21-13-11-20(12-14-21)10-9-19-27(25,26)15-5-2-1-3-6-15/h1-8,19H,9-14H2
InChIKeyJICWVXXLTIKVMI-UHFFFAOYSA-N
XLogP1.09
TPSA108.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 43522294
4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812324
1-(chloromethylsulfonyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 63664883
3-(3-nitro-2-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 22003999
1-(bromomethylsulfonyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 83084840
1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 165448313
1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine
CID 17419305
1-[(2-fluorophenyl)methyl]-4-(3-nitro-2-pyridinyl)piperazine
CID 9109597
2-[4-(3-nitro-2-pyridinyl)-1,4-diazepan-1-yl]acetic acid
CID 62823957
7-chloro-N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]quinolin-4-amine
CID 52942606
2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline
CID 134003510
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-nitrobenzenesulfonamide
CID 42267812

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide (CID 167898519) is N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide is O=[N+]([O-])c1cccnc1N1CCN(CCNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is JICWVXXLTIKVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S/c23-22(24)16-7-4-8-18-17(16)21-13-11-20(12-14-21)10-9-19-27(25,26)15-5-2-1-3-6-15/h1-8,19H,9-14H2.
What are the key properties of N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide?
N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 167898519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).