1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine

C17H25N3O4S — CID 90146968

IUPAC1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H25N3O4S/c1-14-7-8-16(20(21)22)13-17(14)25(23,24)19-11-9-18(10-12-19)15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3
InChIKeyLNBGIGBIQDMUQC-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.54
Rot. Bonds4

About 1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine

1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine (PubChem CID 90146968) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
PubChem CID90146968
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H25N3O4S/c1-14-7-8-16(20(21)22)13-17(14)25(23,24)19-11-9-18(10-12-19)15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3
InChIKeyLNBGIGBIQDMUQC-UHFFFAOYSA-N
XLogP2.54
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.54
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-cyclopentyl-4-[2-(3,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine
CID 59260936
N-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 119979756
1-(2-methyl-5-nitrophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585251
1-(3,4-dimethylphenyl)sulfonyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 46556421
N-cyclohexyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26912952
[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 24517813
1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074953
1-(2,6-dimethylphenyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 2941993
N-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 46560014
1-(2,5-dimethylphenyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 5034124
[(1R,2R)-2-methylcyclopropyl]-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 9496351
N-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714788

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine?
The IUPAC name of 1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine (CID 90146968) is 1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine?
The canonical SMILES for 1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine?
The InChIKey is LNBGIGBIQDMUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-14-7-8-16(20(21)22)13-17(14)25(23,24)19-11-9-18(10-12-19)15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3.
What are the key properties of 1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine?
1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine has a molecular weight of 367.47 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine is sourced from PubChem (CID 90146968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).