3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide

C11H14BrClN2O2S — CID 113485255

IUPAC3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cc(Cl)cc(N)c2Br)CCC1
InChIInChI=1S/C11H14BrClN2O2S/c1-11(3-2-4-11)15-18(16,17)9-6-7(13)5-8(14)10(9)12/h5-6,15H,2-4,14H2,1H3
InChIKeyQAAXTUGDJLRYJD-UHFFFAOYSA-N
MW353.67 g/mol
LogP2.91
Rot. Bonds3

About 3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide

3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide (PubChem CID 113485255) has the molecular formula C11H14BrClN2O2S and a molecular weight of 353.67 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide
PubChem CID113485255
Molecular FormulaC11H14BrClN2O2S
Molecular Weight353.67 g/mol
Exact Mass351.96
IUPAC Name3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cc(Cl)cc(N)c2Br)CCC1
InChIInChI=1S/C11H14BrClN2O2S/c1-11(3-2-4-11)15-18(16,17)9-6-7(13)5-8(14)10(9)12/h5-6,15H,2-4,14H2,1H3
InChIKeyQAAXTUGDJLRYJD-UHFFFAOYSA-N
XLogP2.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.67
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-bromo-5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 62955675
2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485252
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
3-amino-2-bromo-5-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628401
3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 62956708
3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 62956348
2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485273
5-amino-2-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485258
3-amino-2-bromo-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
CID 62956544
3-amino-2-bromo-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 62955301
3-amino-2-bromo-5-chloro-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
CID 63997482
3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide
CID 62955309

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide (CID 113485255) is 3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide is CC1(NS(=O)(=O)c2cc(Cl)cc(N)c2Br)CCC1.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide?
The InChIKey is QAAXTUGDJLRYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S/c1-11(3-2-4-11)15-18(16,17)9-6-7(13)5-8(14)10(9)12/h5-6,15H,2-4,14H2,1H3.
What are the key properties of 3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide has a molecular weight of 353.67 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 113485255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).