1-(2-nitrophenyl)sulfonylpiperazin-2-ol

C10H13N3O5S — CID 174480928

IUPAC1-(2-nitrophenyl)sulfonylpiperazin-2-ol
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNCC1O
InChIInChI=1S/C10H13N3O5S/c14-10-7-11-5-6-12(10)19(17,18)9-4-2-1-3-8(9)13(15)16/h1-4,10-11,14H,5-7H2
InChIKeyLPNIYBVMZUCUKP-UHFFFAOYSA-N
MW287.30 g/mol
LogP-0.49
Rot. Bonds3

About 1-(2-nitrophenyl)sulfonylpiperazin-2-ol

1-(2-nitrophenyl)sulfonylpiperazin-2-ol (PubChem CID 174480928) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 1-(2-nitrophenyl)sulfonylpiperazin-2-ol.

Molecular Properties

Compound Name1-(2-nitrophenyl)sulfonylpiperazin-2-ol
PubChem CID174480928
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name1-(2-nitrophenyl)sulfonylpiperazin-2-ol
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNCC1O
InChIInChI=1S/C10H13N3O5S/c14-10-7-11-5-6-12(10)19(17,18)9-4-2-1-3-8(9)13(15)16/h1-4,10-11,14H,5-7H2
InChIKeyLPNIYBVMZUCUKP-UHFFFAOYSA-N
XLogP-0.49
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
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-(2-nitrophenyl)sulfonylpiperazin-2-ol 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-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride
CID 174480906
1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride
CID 174467980
(2R)-2-methyl-1-(2-nitrophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 162393948
2-(3-fluorophenyl)-1-(2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120764840
1-(2-nitrophenyl)sulfonyl-1,5-diazocane
CID 121014557
1-(2-nitrophenyl)sulfonylpiperidin-3-ol
CID 3785315
3-ethyl-4-(2-nitrophenyl)sulfonylpiperazin-2-one
CID 63600532
3-methyl-1-(2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 119981791
8-(2-nitrophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63763356
2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723641
4-(2-nitrophenyl)sulfonylmorpholine
CID 796972
1-(2-nitrophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 119929358

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)sulfonylpiperazin-2-ol?
The IUPAC name of 1-(2-nitrophenyl)sulfonylpiperazin-2-ol (CID 174480928) is 1-(2-nitrophenyl)sulfonylpiperazin-2-ol.
What is the SMILES notation for 1-(2-nitrophenyl)sulfonylpiperazin-2-ol?
The canonical SMILES for 1-(2-nitrophenyl)sulfonylpiperazin-2-ol is O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNCC1O.
What is the InChIKey of 1-(2-nitrophenyl)sulfonylpiperazin-2-ol?
The InChIKey is LPNIYBVMZUCUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c14-10-7-11-5-6-12(10)19(17,18)9-4-2-1-3-8(9)13(15)16/h1-4,10-11,14H,5-7H2.
What are the key properties of 1-(2-nitrophenyl)sulfonylpiperazin-2-ol?
1-(2-nitrophenyl)sulfonylpiperazin-2-ol has a molecular weight of 287.30 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)sulfonylpiperazin-2-ol is sourced from PubChem (CID 174480928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).