N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide

C10H14N2O6S — CID 786210

IUPACN,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)CCO)cc1
InChIInChI=1S/C10H14N2O6S/c13-7-5-11(6-8-14)19(17,18)10-3-1-9(2-4-10)12(15)16/h1-4,13-14H,5-8H2
InChIKeyQLZDDZOWDLQNJY-UHFFFAOYSA-N
MW290.30 g/mol
LogP-0.43
Rot. Bonds7

About N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide

N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide (PubChem CID 786210) has the molecular formula C10H14N2O6S and a molecular weight of 290.30 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide
PubChem CID786210
Molecular FormulaC10H14N2O6S
Molecular Weight290.30 g/mol
Exact Mass290.06
IUPAC NameN,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)CCO)cc1
InChIInChI=1S/C10H14N2O6S/c13-7-5-11(6-8-14)19(17,18)10-3-1-9(2-4-10)12(15)16/h1-4,13-14H,5-8H2
InChIKeyQLZDDZOWDLQNJY-UHFFFAOYSA-N
XLogP-0.43
TPSA120.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide (CID 786210) is N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)CCO)cc1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide?
The InChIKey is QLZDDZOWDLQNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6S/c13-7-5-11(6-8-14)19(17,18)10-3-1-9(2-4-10)12(15)16/h1-4,13-14H,5-8H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide?
N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide has a molecular weight of 290.30 g/mol, XLogP of -0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 786210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).