4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide

C16H19FN4O4S — CID 54210128

IUPAC4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2F)cc1
InChIInChI=1S/C16H19FN4O4S/c17-15-11-13(21(7-9-22)8-10-23)3-6-16(15)20-19-12-1-4-14(5-2-12)26(18,24)25/h1-6,11,22-23H,7-10H2,(H2,18,24,25)/b20-19+
InChIKeyPVJFZVQKBUADHH-FMQUCBEESA-N
MW382.42 g/mol
LogP1.68
Rot. Bonds8

About 4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide

4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide (PubChem CID 54210128) has the molecular formula C16H19FN4O4S and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide
PubChem CID54210128
Molecular FormulaC16H19FN4O4S
Molecular Weight382.42 g/mol
Exact Mass382.11
IUPAC Name4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2F)cc1
InChIInChI=1S/C16H19FN4O4S/c17-15-11-13(21(7-9-22)8-10-23)3-6-16(15)20-19-12-1-4-14(5-2-12)26(18,24)25/h1-6,11,22-23H,7-10H2,(H2,18,24,25)/b20-19+
InChIKeyPVJFZVQKBUADHH-FMQUCBEESA-N
XLogP1.68
TPSA128.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide?
The IUPAC name of 4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide (CID 54210128) is 4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2F)cc1.
What is the InChIKey of 4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide?
The InChIKey is PVJFZVQKBUADHH-FMQUCBEESA-N. The full InChI is InChI=1S/C16H19FN4O4S/c17-15-11-13(21(7-9-22)8-10-23)3-6-16(15)20-19-12-1-4-14(5-2-12)26(18,24)25/h1-6,11,22-23H,7-10H2,(H2,18,24,25)/b20-19+.
What are the key properties of 4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide?
4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide has a molecular weight of 382.42 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide is sourced from PubChem (CID 54210128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).