1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine

C19H24N4O4S — CID 56570908

IUPAC1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)cc1
InChIInChI=1S/C19H24N4O4S/c1-3-4-16-5-7-18(8-6-16)28(26,27)22-11-9-21(10-12-22)19-15(2)13-17(14-20-19)23(24)25/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyUTASHDHHXGHATG-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.76
Rot. Bonds6

About 1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine

1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine (PubChem CID 56570908) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine
PubChem CID56570908
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)cc1
InChIInChI=1S/C19H24N4O4S/c1-3-4-16-5-7-18(8-6-16)28(26,27)22-11-9-21(10-12-22)19-15(2)13-17(14-20-19)23(24)25/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyUTASHDHHXGHATG-UHFFFAOYSA-N
XLogP2.76
TPSA96.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dinitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine
CID 55346800
1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine
CID 9108511
3-methyl-8-[4-(3-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]sulfonylquinoline
CID 56571343
1-(3-methyl-5-nitro-2-pyridinyl)-4-propyl-1,4-diazepane
CID 133322502
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine
CID 55377896
N-ethyl-4-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 122351275
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
1-(3,4-dimethylphenyl)sulfonyl-4-[2-(4-nitrophenyl)ethyl]piperazine
CID 52673804
1-(3-methyl-5-nitro-2-pyridinyl)piperidin-4-ol
CID 62477755
1-(4-methylphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)-1,4-diazepane
CID 16797151
1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22207951

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine (CID 56570908) is 1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine is CCCc1ccc(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)cc1.
What is the InChIKey of 1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine?
The InChIKey is UTASHDHHXGHATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-3-4-16-5-7-18(8-6-16)28(26,27)22-11-9-21(10-12-22)19-15(2)13-17(14-20-19)23(24)25/h5-8,13-14H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine?
1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine has a molecular weight of 404.49 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine is sourced from PubChem (CID 56570908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).