5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide

C10H15BrN2O3S — CID 106840167

IUPAC5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)NCCCCO)c1
InChIInChI=1S/C10H15BrN2O3S/c11-9-4-3-8(12)7-10(9)17(15,16)13-5-1-2-6-14/h3-4,7,13-14H,1-2,5-6,12H2
InChIKeyGQUMGSYUTUMGLM-UHFFFAOYSA-N
MW323.21 g/mol
LogP1.08
Rot. Bonds6

About 5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide

5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide (PubChem CID 106840167) has the molecular formula C10H15BrN2O3S and a molecular weight of 323.21 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide
PubChem CID106840167
Molecular FormulaC10H15BrN2O3S
Molecular Weight323.21 g/mol
Exact Mass322.00
IUPAC Name5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)NCCCCO)c1
InChIInChI=1S/C10H15BrN2O3S/c11-9-4-3-8(12)7-10(9)17(15,16)13-5-1-2-6-14/h3-4,7,13-14H,1-2,5-6,12H2
InChIKeyGQUMGSYUTUMGLM-UHFFFAOYSA-N
XLogP1.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 65201907
5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843500
5-amino-2-bromo-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 65207124
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide
CID 65202243
4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316375
5-amino-2-bromo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 65207152
5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840238
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
5-amino-2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229551
5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333529
3-[2-[(5-amino-2-bromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108301

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide (CID 106840167) is 5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide is Nc1ccc(Br)c(S(=O)(=O)NCCCCO)c1.
What is the InChIKey of 5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide?
The InChIKey is GQUMGSYUTUMGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S/c11-9-4-3-8(12)7-10(9)17(15,16)13-5-1-2-6-14/h3-4,7,13-14H,1-2,5-6,12H2.
What are the key properties of 5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide?
5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide has a molecular weight of 323.21 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 106840167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).