1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride

C10H13Cl2N3O4S — CID 119961906

IUPAC1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H12ClN3O4S.ClH/c11-8-1-2-9(14(15)16)10(7-8)19(17,18)13-5-3-12-4-6-13;/h1-2,7,12H,3-6H2;1H
InChIKeySQNLBWGZLUNACN-UHFFFAOYSA-N
MW342.20 g/mol
LogP1.26
Rot. Bonds3

About 1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride

1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride (PubChem CID 119961906) has the molecular formula C10H13Cl2N3O4S and a molecular weight of 342.20 g/mol. Its IUPAC name is 1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride
PubChem CID119961906
Molecular FormulaC10H13Cl2N3O4S
Molecular Weight342.20 g/mol
Exact Mass341.00
IUPAC Name1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H12ClN3O4S.ClH/c11-8-1-2-9(14(15)16)10(7-8)19(17,18)13-5-3-12-4-6-13;/h1-2,7,12H,3-6H2;1H
InChIKeySQNLBWGZLUNACN-UHFFFAOYSA-N
XLogP1.26
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
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-(4-chloro-2-nitrophenyl)sulfonylpiperidine
CID 47157093
1-(2-chloro-4-nitrophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963349
1-(3-bromo-4-nitrophenyl)sulfonylpiperazine
CID 119961499
1-(5-chloro-2-nitrophenyl)sulfonyl-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120764720
(5-chloro-2-nitrophenyl)-piperazin-1-ylmethanone
CID 43088523
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 119961697
1-(2-nitrophenyl)sulfonyl-1,5-diazocane
CID 121014557
(4-chloro-2-nitrophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400657
1-(2-fluoro-5-nitrophenyl)sulfonyl-1,4-diazepane
CID 43255319
1-(3-methyl-4-nitrophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963568
1-(4-chloro-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride
CID 174480906
[4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 119041461

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride (CID 119961906) is 1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride is Cl.O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is SQNLBWGZLUNACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O4S.ClH/c11-8-1-2-9(14(15)16)10(7-8)19(17,18)13-5-3-12-4-6-13;/h1-2,7,12H,3-6H2;1H.
What are the key properties of 1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride?
1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 342.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 119961906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).