4-morpholin-4-ylsulfonyl-2-nitrophenolate

C10H11N2O6S- — CID 7062823

IUPAC4-morpholin-4-ylsulfonyl-2-nitrophenolate
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1[O-]
InChIInChI=1S/C10H12N2O6S/c13-10-2-1-8(7-9(10)12(14)15)19(16,17)11-3-5-18-6-4-11/h1-2,7,13H,3-6H2/p-1
InChIKeyDODZJWILLKAOOE-UHFFFAOYSA-M
MW287.27 g/mol
LogP-0.31
Rot. Bonds3

About 4-morpholin-4-ylsulfonyl-2-nitrophenolate

4-morpholin-4-ylsulfonyl-2-nitrophenolate (PubChem CID 7062823) has the molecular formula C10H11N2O6S- and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-2-nitrophenolate.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-2-nitrophenolate
PubChem CID7062823
Molecular FormulaC10H11N2O6S-
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC Name4-morpholin-4-ylsulfonyl-2-nitrophenolate
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1[O-]
InChIInChI=1S/C10H12N2O6S/c13-10-2-1-8(7-9(10)12(14)15)19(16,17)11-3-5-18-6-4-11/h1-2,7,13H,3-6H2/p-1
InChIKeyDODZJWILLKAOOE-UHFFFAOYSA-M
XLogP-0.31
TPSA112.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-0.31
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-(3-chloro-4-nitrophenyl)sulfonylmorpholine
CID 2380547
2-nitro-4-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 62967617
2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol
CID 4811270
4-(3-nitro-4-phenylsulfanylphenyl)sulfonylmorpholine
CID 4811406
4-[3-nitro-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]sulfonylmorpholine
CID 26451905
N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide
CID 3881300
4-[4-(4-fluorophenyl)sulfanyl-3-nitrophenyl]sulfonylmorpholine
CID 4814430
2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetic acid
CID 16771112
N,N-diethyl-4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazine-1-sulfonamide
CID 25356952
N-benzyl-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 2867352
4-[4-[4-(cyclohexylmethyl)piperazin-1-yl]-3-nitrophenyl]sulfonylmorpholine
CID 25336238
4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine
CID 9280495

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-2-nitrophenolate?
The IUPAC name of 4-morpholin-4-ylsulfonyl-2-nitrophenolate (CID 7062823) is 4-morpholin-4-ylsulfonyl-2-nitrophenolate.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-2-nitrophenolate?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-2-nitrophenolate is O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1[O-].
What is the InChIKey of 4-morpholin-4-ylsulfonyl-2-nitrophenolate?
The InChIKey is DODZJWILLKAOOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N2O6S/c13-10-2-1-8(7-9(10)12(14)15)19(16,17)11-3-5-18-6-4-11/h1-2,7,13H,3-6H2/p-1.
What are the key properties of 4-morpholin-4-ylsulfonyl-2-nitrophenolate?
4-morpholin-4-ylsulfonyl-2-nitrophenolate has a molecular weight of 287.27 g/mol, XLogP of -0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-2-nitrophenolate is sourced from PubChem (CID 7062823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).