N-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide

C16H19N3O7S2 — CID 4833367

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H19N3O7S2/c1-3-18(4-2)28(25,26)13-7-5-12(6-8-13)17-27(23,24)14-9-10-16(20)15(11-14)19(21)22/h5-11,17,20H,3-4H2,1-2H3
InChIKeyBIONSENAAARHRD-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.13
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide

N-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide (PubChem CID 4833367) has the molecular formula C16H19N3O7S2 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide
PubChem CID4833367
Molecular FormulaC16H19N3O7S2
Molecular Weight429.48 g/mol
Exact Mass429.07
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H19N3O7S2/c1-3-18(4-2)28(25,26)13-7-5-12(6-8-13)17-27(23,24)14-9-10-16(20)15(11-14)19(21)22/h5-11,17,20H,3-4H2,1-2H3
InChIKeyBIONSENAAARHRD-UHFFFAOYSA-N
XLogP2.13
TPSA146.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.13
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide (CID 4833367) is N-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide?
The InChIKey is BIONSENAAARHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O7S2/c1-3-18(4-2)28(25,26)13-7-5-12(6-8-13)17-27(23,24)14-9-10-16(20)15(11-14)19(21)22/h5-11,17,20H,3-4H2,1-2H3.
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide?
N-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide has a molecular weight of 429.48 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 4833367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).