2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol

C20H24N4O6S — CID 4811270

IUPAC2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H24N4O6S/c25-20-4-2-1-3-18(20)22-9-7-21(8-10-22)17-6-5-16(15-19(17)24(26)27)31(28,29)23-11-13-30-14-12-23/h1-6,15,25H,7-14H2
InChIKeyGOPJVBCGMRRRPP-UHFFFAOYSA-N
MW448.50 g/mol
LogP1.65
Rot. Bonds5

About 2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol

2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol (PubChem CID 4811270) has the molecular formula C20H24N4O6S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol
PubChem CID4811270
Molecular FormulaC20H24N4O6S
Molecular Weight448.50 g/mol
Exact Mass448.14
IUPAC Name2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H24N4O6S/c25-20-4-2-1-3-18(20)22-9-7-21(8-10-22)17-6-5-16(15-19(17)24(26)27)31(28,29)23-11-13-30-14-12-23/h1-6,15,25H,7-14H2
InChIKeyGOPJVBCGMRRRPP-UHFFFAOYSA-N
XLogP1.65
TPSA116.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[3-nitro-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]sulfonylmorpholine
CID 26451905
N,N-diethyl-4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazine-1-sulfonamide
CID 25356952
4-morpholin-4-ylsulfonyl-2-nitrophenolate
CID 7062823
4-[4-[4-(cyclohexylmethyl)piperazin-1-yl]-3-nitrophenyl]sulfonylmorpholine
CID 25336238
(4-ethylphenyl)-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone
CID 26559343
(4-methylpiperidin-1-yl)-[1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidin-4-yl]methanone
CID 16960891
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone
CID 98307260
N-cyclopropyl-2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]propanamide
CID 24587949
4-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenyl]morpholine
CID 9279241
N-butan-2-yl-2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]acetamide
CID 43010335
[4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 16590084
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol?
The IUPAC name of 2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol (CID 4811270) is 2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol is O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol?
The InChIKey is GOPJVBCGMRRRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6S/c25-20-4-2-1-3-18(20)22-9-7-21(8-10-22)17-6-5-16(15-19(17)24(26)27)31(28,29)23-11-13-30-14-12-23/h1-6,15,25H,7-14H2.
What are the key properties of 2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol?
2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol has a molecular weight of 448.50 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol is sourced from PubChem (CID 4811270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).