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

C11H15BrN2O3S — CID 65206649

IUPAC5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)NCC(O)C2CC2)c1
InChIInChI=1S/C11H15BrN2O3S/c12-9-4-3-8(13)5-11(9)18(16,17)14-6-10(15)7-1-2-7/h3-5,7,10,14-15H,1-2,6,13H2
InChIKeyJEBJPHNOBQVLPI-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.08
Rot. Bonds5

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

5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide (PubChem CID 65206649) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
PubChem CID65206649
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)NCC(O)C2CC2)c1
InChIInChI=1S/C11H15BrN2O3S/c12-9-4-3-8(13)5-11(9)18(16,17)14-6-10(15)7-1-2-7/h3-5,7,10,14-15H,1-2,6,13H2
InChIKeyJEBJPHNOBQVLPI-UHFFFAOYSA-N
XLogP1.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294397
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294173
5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107213331
methyl 4-amino-2-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]benzoate
CID 102931236
5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 65206493
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 63294130
2,5-dibromo-N-(2-cyclopropyl-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 81327832
5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 65201907
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide
CID 114294646
4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 63294574
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide
CID 107343536
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide (CID 65206649) is 5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide is Nc1ccc(Br)c(S(=O)(=O)NCC(O)C2CC2)c1.
What is the InChIKey of 5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide?
The InChIKey is JEBJPHNOBQVLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c12-9-4-3-8(13)5-11(9)18(16,17)14-6-10(15)7-1-2-7/h3-5,7,10,14-15H,1-2,6,13H2.
What are the key properties of 5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide?
5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide has a molecular weight of 335.22 g/mol, XLogP of 1.08, 5 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-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 65206649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).