1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine

C16H16ClN3O6S2 — CID 1342939

IUPAC1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H16ClN3O6S2/c17-13-5-7-14(8-6-13)27(23,24)18-9-11-19(12-10-18)28(25,26)16-4-2-1-3-15(16)20(21)22/h1-8H,9-12H2
InChIKeyMHBHALONXVFMPW-UHFFFAOYSA-N
MW445.91 g/mol
LogP1.94
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine

1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine (PubChem CID 1342939) has the molecular formula C16H16ClN3O6S2 and a molecular weight of 445.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine
PubChem CID1342939
Molecular FormulaC16H16ClN3O6S2
Molecular Weight445.91 g/mol
Exact Mass445.02
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H16ClN3O6S2/c17-13-5-7-14(8-6-13)27(23,24)18-9-11-19(12-10-18)28(25,26)16-4-2-1-3-15(16)20(21)22/h1-8H,9-12H2
InChIKeyMHBHALONXVFMPW-UHFFFAOYSA-N
XLogP1.94
TPSA117.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 51.94
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-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)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-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 10905934
4-(2-nitrophenyl)sulfonylmorpholine
CID 796972
3,6,9,12-tetrakis[(2-nitrophenyl)sulfonyl]-3,6,9,12-tetrazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene
CID 101172308
1-(2-nitrophenyl)sulfonyl-1,5-diazocane
CID 121014557
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2063878
1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
CID 2885451
1-(2-chloroprop-2-enyl)-4-(2-nitrophenyl)sulfonylpiperazin-1-ium
CID 8687773
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 8746594
2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 60567658
1-(2-nitrophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63845539
4-methylsulfonyl-1-(2-nitrophenyl)sulfonylpiperidine
CID 90585229
cyclopropyl-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 26947408

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine (CID 1342939) is 1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine is O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine?
The InChIKey is MHBHALONXVFMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O6S2/c17-13-5-7-14(8-6-13)27(23,24)18-9-11-19(12-10-18)28(25,26)16-4-2-1-3-15(16)20(21)22/h1-8H,9-12H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine?
1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine has a molecular weight of 445.91 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine is sourced from PubChem (CID 1342939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).