4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide

C10H14Br2N2O3S — CID 54880030

IUPAC4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C10H14Br2N2O3S/c1-2-14(3-4-15)18(16,17)10-8(11)5-7(13)6-9(10)12/h5-6,15H,2-4,13H2,1H3
InChIKeyZSFFFBMQSIIILP-UHFFFAOYSA-N
MW402.11 g/mol
LogP1.80
Rot. Bonds5

About 4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide

4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 54880030) has the molecular formula C10H14Br2N2O3S and a molecular weight of 402.11 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID54880030
Molecular FormulaC10H14Br2N2O3S
Molecular Weight402.11 g/mol
Exact Mass399.91
IUPAC Name4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C10H14Br2N2O3S/c1-2-14(3-4-15)18(16,17)10-8(11)5-7(13)6-9(10)12/h5-6,15H,2-4,13H2,1H3
InChIKeyZSFFFBMQSIIILP-UHFFFAOYSA-N
XLogP1.80
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.11
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 54880030) is 4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide is CCN(CCO)S(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is ZSFFFBMQSIIILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O3S/c1-2-14(3-4-15)18(16,17)10-8(11)5-7(13)6-9(10)12/h5-6,15H,2-4,13H2,1H3.
What are the key properties of 4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 402.11 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 54880030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).