2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine

C14H14ClN5O4S — CID 60567658

IUPAC2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C14H14ClN5O4S/c15-13-9-16-10-14(17-13)18-5-7-19(8-6-18)25(23,24)12-4-2-1-3-11(12)20(21)22/h1-4,9-10H,5-8H2
InChIKeyBPBUSDFRNQPZOC-UHFFFAOYSA-N
MW383.82 g/mol
LogP1.55
Rot. Bonds4

About 2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine

2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine (PubChem CID 60567658) has the molecular formula C14H14ClN5O4S and a molecular weight of 383.82 g/mol. Its IUPAC name is 2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine
PubChem CID60567658
Molecular FormulaC14H14ClN5O4S
Molecular Weight383.82 g/mol
Exact Mass383.05
IUPAC Name2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C14H14ClN5O4S/c15-13-9-16-10-14(17-13)18-5-7-19(8-6-18)25(23,24)12-4-2-1-3-11(12)20(21)22/h1-4,9-10H,5-8H2
InChIKeyBPBUSDFRNQPZOC-UHFFFAOYSA-N
XLogP1.55
TPSA109.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.82
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 701155
1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine
CID 1342939
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2063878
[(1S,2S)-2-methylcyclopropyl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 9496530
1-(2-nitrophenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 26532044
cyclopropyl-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 26947408
4-(2-nitrophenyl)sulfonylmorpholine
CID 796972
(2-chloro-3-pyridinyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 9496520
4-methylsulfonyl-1-(2-nitrophenyl)sulfonylpiperidine
CID 90585229
3,6,9,12-tetrakis[(2-nitrophenyl)sulfonyl]-3,6,9,12-tetrazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene
CID 101172308
1-(2-nitrophenyl)sulfonyl-4-propylsulfonylpiperazine;oxalic acid
CID 171154767
4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 35885094

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine?
The IUPAC name of 2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine (CID 60567658) is 2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine is O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2cncc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine?
The InChIKey is BPBUSDFRNQPZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O4S/c15-13-9-16-10-14(17-13)18-5-7-19(8-6-18)25(23,24)12-4-2-1-3-11(12)20(21)22/h1-4,9-10H,5-8H2.
What are the key properties of 2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine?
2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine has a molecular weight of 383.82 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrazine is sourced from PubChem (CID 60567658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).