3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide

C12H18BrClN2O2S — CID 55153848

IUPAC3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C12H18BrClN2O2S/c1-2-3-4-5-6-16-19(17,18)11-8-9(14)7-10(15)12(11)13/h7-8,16H,2-6,15H2,1H3
InChIKeyJPENBLWBNTXSPX-UHFFFAOYSA-N
MW369.71 g/mol
LogP3.54
Rot. Bonds7

About 3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide

3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide (PubChem CID 55153848) has the molecular formula C12H18BrClN2O2S and a molecular weight of 369.71 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide
PubChem CID55153848
Molecular FormulaC12H18BrClN2O2S
Molecular Weight369.71 g/mol
Exact Mass368.00
IUPAC Name3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C12H18BrClN2O2S/c1-2-3-4-5-6-16-19(17,18)11-8-9(14)7-10(15)12(11)13/h7-8,16H,2-6,15H2,1H3
InChIKeyJPENBLWBNTXSPX-UHFFFAOYSA-N
XLogP3.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide
CID 55152906
2-amino-5-chloro-N-hexylbenzenesulfonamide
CID 61108372
N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 62957416
3-amino-4-bromo-5-chloro-2-fluoro-N-hexylbenzenesulfonamide
CID 103077353
3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 62955849
3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843473
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
3-amino-2-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63239008
3-amino-2-bromo-5-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64519149
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
4-amino-N-butyl-2,5-dichlorobenzenesulfonamide
CID 70634654
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-hexylbenzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide (CID 55153848) is 3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide is CCCCCCNS(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide?
The InChIKey is JPENBLWBNTXSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2O2S/c1-2-3-4-5-6-16-19(17,18)11-8-9(14)7-10(15)12(11)13/h7-8,16H,2-6,15H2,1H3.
What are the key properties of 3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide?
3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide has a molecular weight of 369.71 g/mol, XLogP of 3.54, 7 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-hexylbenzenesulfonamide is sourced from PubChem (CID 55153848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).