4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide

C11H16Br2N2O3S — CID 61111098

IUPAC4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H16Br2N2O3S/c1-2-3-15(4-5-16)19(17,18)11-9(12)6-8(14)7-10(11)13/h6-7,16H,2-5,14H2,1H3
InChIKeyZVZIADJUQZYLTD-UHFFFAOYSA-N
MW416.14 g/mol
LogP2.19
Rot. Bonds6

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

4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide (PubChem CID 61111098) has the molecular formula C11H16Br2N2O3S and a molecular weight of 416.14 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
PubChem CID61111098
Molecular FormulaC11H16Br2N2O3S
Molecular Weight416.14 g/mol
Exact Mass413.92
IUPAC Name4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H16Br2N2O3S/c1-2-3-15(4-5-16)19(17,18)11-9(12)6-8(14)7-10(11)13/h6-7,16H,2-5,14H2,1H3
InChIKeyZVZIADJUQZYLTD-UHFFFAOYSA-N
XLogP2.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.14
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54880030
2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111099
4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide
CID 43256888
2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61216060
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 65020659
5-amino-3-fluoro-N-(2-hydroxyethyl)-2-methyl-N-propylbenzenesulfonamide
CID 79897254
3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide
CID 106504018
N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide
CID 61425521
2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide
CID 103101045
3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
CID 61458158
4-amino-2,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397037

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide (CID 61111098) is 4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide is CCCN(CCO)S(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
The InChIKey is ZVZIADJUQZYLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O3S/c1-2-3-15(4-5-16)19(17,18)11-9(12)6-8(14)7-10(11)13/h6-7,16H,2-5,14H2,1H3.
What are the key properties of 4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide has a molecular weight of 416.14 g/mol, XLogP of 2.19, 6 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-(2-hydroxyethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 61111098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).