1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine

C19H23N3O4S — CID 9108511

IUPAC1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1
InChIInChI=1S/C19H23N3O4S/c1-2-5-16-8-10-17(11-9-16)27(25,26)21-14-12-20(13-15-21)18-6-3-4-7-19(18)22(23)24/h3-4,6-11H,2,5,12-15H2,1H3
InChIKeyOWUVXAXKURQUGC-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.06
Rot. Bonds6

About 1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine

1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine (PubChem CID 9108511) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine
PubChem CID9108511
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1
InChIInChI=1S/C19H23N3O4S/c1-2-5-16-8-10-17(11-9-16)27(25,26)21-14-12-20(13-15-21)18-6-3-4-7-19(18)22(23)24/h3-4,6-11H,2,5,12-15H2,1H3
InChIKeyOWUVXAXKURQUGC-UHFFFAOYSA-N
XLogP3.06
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-(2,4-dinitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine
CID 55346800
4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 26943074
1-[4-(2-nitrophenyl)piperazin-1-yl]-4-(4-propylphenyl)butane-1,4-dione
CID 27740983
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
1-(3-methyl-5-nitro-2-pyridinyl)-4-(4-propylphenyl)sulfonylpiperazine
CID 56570908
N,N-diethyl-4-[3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 27825980
4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine
CID 90589463
N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
CID 71040305
2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium
CID 9108517
1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
CID 2885451
1-(4-methylphenyl)sulfonyl-4-(4-methylsulfonyl-2-nitrophenyl)piperazine
CID 18267203
1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1087313

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine (CID 9108511) is 1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine is CCCc1ccc(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1.
What is the InChIKey of 1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine?
The InChIKey is OWUVXAXKURQUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-2-5-16-8-10-17(11-9-16)27(25,26)21-14-12-20(13-15-21)18-6-3-4-7-19(18)22(23)24/h3-4,6-11H,2,5,12-15H2,1H3.
What are the key properties of 1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine?
1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine has a molecular weight of 389.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine is sourced from PubChem (CID 9108511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).