3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide

C11H15BrN2O3S — CID 115329563

IUPAC3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC2CC(O)C2)ccc1Br
InChIInChI=1S/C11H15BrN2O3S/c12-10-2-1-9(5-11(10)13)18(16,17)14-6-7-3-8(15)4-7/h1-2,5,7-8,14-15H,3-4,6,13H2
InChIKeyYGCIZJBIAQPFDL-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.08
Rot. Bonds4

About 3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide

3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide (PubChem CID 115329563) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
PubChem CID115329563
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC2CC(O)C2)ccc1Br
InChIInChI=1S/C11H15BrN2O3S/c12-10-2-1-9(5-11(10)13)18(16,17)14-6-7-3-8(15)4-7/h1-2,5,7-8,14-15H,3-4,6,13H2
InChIKeyYGCIZJBIAQPFDL-UHFFFAOYSA-N
XLogP1.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 82844731
3-amino-4-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 115328868
3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 113288378
N-[(3-hydroxycyclobutyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 66006309
3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66005031
3-amino-4-bromo-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 115329018
5-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
CID 81414494
3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide
CID 115328855
4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 115329624
2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66005687
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126987
4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66006962

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide (CID 115329563) is 3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide is Nc1cc(S(=O)(=O)NCC2CC(O)C2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The InChIKey is YGCIZJBIAQPFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c12-10-2-1-9(5-11(10)13)18(16,17)14-6-7-3-8(15)4-7/h1-2,5,7-8,14-15H,3-4,6,13H2.
What are the key properties of 3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide has a molecular weight of 335.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 115329563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).