2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide

C12H19BrN2O3S — CID 61111458

IUPAC2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C12H19BrN2O3S/c1-2-3-6-15(7-8-16)19(17,18)12-9-10(13)4-5-11(12)14/h4-5,9,16H,2-3,6-8,14H2,1H3
InChIKeyCSMWSZRNAIBGRG-UHFFFAOYSA-N
MW351.27 g/mol
LogP1.81
Rot. Bonds7

About 2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide

2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 61111458) has the molecular formula C12H19BrN2O3S and a molecular weight of 351.27 g/mol. Its IUPAC name is 2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID61111458
Molecular FormulaC12H19BrN2O3S
Molecular Weight351.27 g/mol
Exact Mass350.03
IUPAC Name2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C12H19BrN2O3S/c1-2-3-6-15(7-8-16)19(17,18)12-9-10(13)4-5-11(12)14/h4-5,9,16H,2-3,6-8,14H2,1H3
InChIKeyCSMWSZRNAIBGRG-UHFFFAOYSA-N
XLogP1.81
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 51.81
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

2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61138879
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide
CID 66619210
2-amino-5-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106801
4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111272
5-bromo-N-butyl-2-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 62159278
2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide
CID 106491360
5-bromo-2-[4-bromo-2-[di(pentadecyl)sulfamoyl]phenyl]benzenesulfonamide
CID 69025623
4-amino-2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 102931046
3-amino-N-butyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111452
2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 106546170

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 61111458) is 2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide is CCCCN(CCO)S(=O)(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is CSMWSZRNAIBGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O3S/c1-2-3-6-15(7-8-16)19(17,18)12-9-10(13)4-5-11(12)14/h4-5,9,16H,2-3,6-8,14H2,1H3.
What are the key properties of 2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide?
2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 351.27 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61111458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).