3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide

C14H22BrClN2O2S — CID 62956358

IUPAC3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C14H22BrClN2O2S/c1-4-10(5-2)9-18(6-3)21(19,20)13-8-11(16)7-12(17)14(13)15/h7-8,10H,4-6,9,17H2,1-3H3
InChIKeyGBHATQZGNYGIHE-UHFFFAOYSA-N
MW397.77 g/mol
LogP4.13
Rot. Bonds7

About 3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide

3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide (PubChem CID 62956358) has the molecular formula C14H22BrClN2O2S and a molecular weight of 397.77 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
PubChem CID62956358
Molecular FormulaC14H22BrClN2O2S
Molecular Weight397.77 g/mol
Exact Mass396.03
IUPAC Name3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C14H22BrClN2O2S/c1-4-10(5-2)9-18(6-3)21(19,20)13-8-11(16)7-12(17)14(13)15/h7-8,10H,4-6,9,17H2,1-3H3
InChIKeyGBHATQZGNYGIHE-UHFFFAOYSA-N
XLogP4.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.77
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide
CID 114378979
2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
CID 43587327
3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 55152525
3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 62957413
3-amino-2-bromo-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62957074
3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 62955123
2-[(3-amino-2-bromo-5-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 62955656
5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61437324
3-amino-2-bromo-5-chloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide
CID 62957583
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879925
4-amino-2-cyano-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
CID 43587343

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide (CID 62956358) is 3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide is CCC(CC)CN(CC)S(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide?
The InChIKey is GBHATQZGNYGIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrClN2O2S/c1-4-10(5-2)9-18(6-3)21(19,20)13-8-11(16)7-12(17)14(13)15/h7-8,10H,4-6,9,17H2,1-3H3.
What are the key properties of 3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide has a molecular weight of 397.77 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide is sourced from PubChem (CID 62956358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).