3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide

C11H16BrClN2O2S — CID 62957413

IUPAC3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C)S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C11H16BrClN2O2S/c1-7(2)6-15(3)18(16,17)10-5-8(13)4-9(14)11(10)12/h4-5,7H,6,14H2,1-3H3
InChIKeyYYAVYDBJXODUSJ-UHFFFAOYSA-N
MW355.69 g/mol
LogP2.96
Rot. Bonds4

About 3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide

3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 62957413) has the molecular formula C11H16BrClN2O2S and a molecular weight of 355.69 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID62957413
Molecular FormulaC11H16BrClN2O2S
Molecular Weight355.69 g/mol
Exact Mass353.98
IUPAC Name3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C)S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C11H16BrClN2O2S/c1-7(2)6-15(3)18(16,17)10-5-8(13)4-9(14)11(10)12/h4-5,7H,6,14H2,1-3H3
InChIKeyYYAVYDBJXODUSJ-UHFFFAOYSA-N
XLogP2.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.69
LogP ≤ 52.96
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-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 55152525
3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879925
2-[(3-amino-2-bromo-5-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 62955656
3-amino-2-bromo-5-chloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide
CID 62957583
2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271650
3-amino-2-bromo-5-chloro-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63633294
3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
CID 62956358
3-amino-2-bromo-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylbenzenesulfonamide
CID 62956908
3-amino-2-bromo-5-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 62957761
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
3-amino-2-bromo-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62957074
3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934484

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 62957413) is 3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(C)S(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is YYAVYDBJXODUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O2S/c1-7(2)6-15(3)18(16,17)10-5-8(13)4-9(14)11(10)12/h4-5,7H,6,14H2,1-3H3.
What are the key properties of 3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 355.69 g/mol, XLogP of 2.96, 4 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-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 62957413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).