N,N-diethyl-4-hydroxy-3-nitrobenzenesulfonamide

C10H14N2O5S — CID 3749217

IUPACN,N-diethyl-4-hydroxy-3-nitrobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O5S/c1-3-11(4-2)18(16,17)8-5-6-10(13)9(7-8)12(14)15/h5-7,13H,3-4H2,1-2H3
InChIKeyPUXUOVTULZWEHQ-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.33
Rot. Bonds5

About N,N-diethyl-4-hydroxy-3-nitrobenzenesulfonamide

N,N-diethyl-4-hydroxy-3-nitrobenzenesulfonamide (PubChem CID 3749217) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is N,N-diethyl-4-hydroxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-hydroxy-3-nitrobenzenesulfonamide
PubChem CID3749217
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC NameN,N-diethyl-4-hydroxy-3-nitrobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O5S/c1-3-11(4-2)18(16,17)8-5-6-10(13)9(7-8)12(14)15/h5-7,13H,3-4H2,1-2H3
InChIKeyPUXUOVTULZWEHQ-UHFFFAOYSA-N
XLogP1.33
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.33
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

Benzenesulfonamide, 4-hydroxy-3-nitro-
CID 90631
Oryzalin metabolite OR-20
CID 139597735
2-Nitro-4-(pyrrolidine-1-sulfonyl)phenol
CID 3749282
N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide
CID 2835148
3-Amino-4-hydroxy-5-nitrobenzenesulfonamide
CID 15476112
Sodium 4-hydroxy-3-nitrobenzenesulfonate
CID 12598197
N-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide
CID 4833367
3-amino-4-hydroxy-N,5-dinitrobenzenesulfonamide
CID 127052516
Silver (3-amino-4-hydroxy-5-nitrophenyl)sulfonyl-nitroazanide
CID 155552773
4-(4-Hydroxy-3-nitro-phenyl)sulfonyl-2-nitro-phenol
CID 237347
1-(4-Methoxy-3-nitrobenzenesulfonyl)piperidine
CID 2945682
3-amino-N,N-diethyl-4-hydroxybenzene-1-sulfonamide
CID 3871028

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hydroxy-3-nitrobenzenesulfonamide?
The IUPAC name of N,N-diethyl-4-hydroxy-3-nitrobenzenesulfonamide (CID 3749217) is N,N-diethyl-4-hydroxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-hydroxy-3-nitrobenzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-hydroxy-3-nitrobenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N,N-diethyl-4-hydroxy-3-nitrobenzenesulfonamide?
The InChIKey is PUXUOVTULZWEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-3-11(4-2)18(16,17)8-5-6-10(13)9(7-8)12(14)15/h5-7,13H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-hydroxy-3-nitrobenzenesulfonamide?
N,N-diethyl-4-hydroxy-3-nitrobenzenesulfonamide has a molecular weight of 274.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hydroxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 3749217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).