1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride

C10H13Cl2N3O5S — CID 174480906

IUPAC1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride
SMILESCl.O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCNCC1O
InChIInChI=1S/C10H12ClN3O5S.ClH/c11-7-1-2-9(8(5-7)14(16)17)20(18,19)13-4-3-12-6-10(13)15;/h1-2,5,10,12,15H,3-4,6H2;1H
InChIKeyAYMMZFSHRWHAHB-UHFFFAOYSA-N
MW358.20 g/mol
LogP0.58
Rot. Bonds3

About 1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride

1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride (PubChem CID 174480906) has the molecular formula C10H13Cl2N3O5S and a molecular weight of 358.20 g/mol. Its IUPAC name is 1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride
PubChem CID174480906
Molecular FormulaC10H13Cl2N3O5S
Molecular Weight358.20 g/mol
Exact Mass357.00
IUPAC Name1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride
SMILESCl.O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCNCC1O
InChIInChI=1S/C10H12ClN3O5S.ClH/c11-7-1-2-9(8(5-7)14(16)17)20(18,19)13-4-3-12-6-10(13)15;/h1-2,5,10,12,15H,3-4,6H2;1H
InChIKeyAYMMZFSHRWHAHB-UHFFFAOYSA-N
XLogP0.58
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 50.58
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'}

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Related Compounds

1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride
CID 174467980
1-(2-nitrophenyl)sulfonylpiperazin-2-ol
CID 174480928
4-chloro-2-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686245
1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 119961906
1-(5-chloro-2-nitrophenyl)sulfonyl-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120764720
1-(4-chloro-2-nitrophenyl)sulfonylpiperidine
CID 47157093
1-(4-methoxy-2-nitrophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969721
1-(4-chloro-2-nitrophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963067
1-(4-chloro-2-nitrophenyl)sulfonyl-4-methylpiperidine
CID 47157198
1-(4-chloro-2-nitrophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980088
2-[1-(4-chloro-2-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744905
1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984069

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride?
The IUPAC name of 1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride (CID 174480906) is 1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride?
The canonical SMILES for 1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride is Cl.O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCNCC1O.
What is the InChIKey of 1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride?
The InChIKey is AYMMZFSHRWHAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O5S.ClH/c11-7-1-2-9(8(5-7)14(16)17)20(18,19)13-4-3-12-6-10(13)15;/h1-2,5,10,12,15H,3-4,6H2;1H.
What are the key properties of 1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride?
1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride has a molecular weight of 358.20 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride is sourced from PubChem (CID 174480906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).