[4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

C15H14ClN3O6S — CID 119041461

IUPAC[4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H14ClN3O6S/c16-11-3-4-12(19(21)22)14(10-11)26(23,24)18-7-5-17(6-8-18)15(20)13-2-1-9-25-13/h1-4,9-10H,5-8H2
InChIKeyZXBGXNQLLVUSLL-UHFFFAOYSA-N
MW399.81 g/mol
LogP1.99
Rot. Bonds4

About [4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

[4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 119041461) has the molecular formula C15H14ClN3O6S and a molecular weight of 399.81 g/mol. Its IUPAC name is [4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
PubChem CID119041461
Molecular FormulaC15H14ClN3O6S
Molecular Weight399.81 g/mol
Exact Mass399.03
IUPAC Name[4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H14ClN3O6S/c16-11-3-4-12(19(21)22)14(10-11)26(23,24)18-7-5-17(6-8-18)15(20)13-2-1-9-25-13/h1-4,9-10H,5-8H2
InChIKeyZXBGXNQLLVUSLL-UHFFFAOYSA-N
XLogP1.99
TPSA113.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 51.99
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'}

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Related Compounds

[4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 86879585
[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 3264511
(5-chloro-1-benzofuran-2-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 29363797
3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one
CID 171977750
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-nitrophenyl)methanone
CID 26204373
1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 119961906
1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(2-nitrophenyl)ethanone
CID 26870152
(5-methylfuran-2-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 2551564
(2-chloro-4,5-difluorophenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 42993433
(4-chloro-2-nitrophenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27562395
[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 56578801
5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 16822023

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (CID 119041461) is [4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of [4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is ZXBGXNQLLVUSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O6S/c16-11-3-4-12(19(21)22)14(10-11)26(23,24)18-7-5-17(6-8-18)15(20)13-2-1-9-25-13/h1-4,9-10H,5-8H2.
What are the key properties of [4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
[4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 399.81 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 119041461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).