2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide

C11H15BrN2O2S — CID 103171769

IUPAC2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide
SMILESC=C(Br)CNS(=O)(=O)c1c(C)ccc(C)c1N
InChIInChI=1S/C11H15BrN2O2S/c1-7-4-5-8(2)11(10(7)13)17(15,16)14-6-9(3)12/h4-5,14H,3,6,13H2,1-2H3
InChIKeyIGBSGIVVWZWXNF-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.07
Rot. Bonds4

About 2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide

2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide (PubChem CID 103171769) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide
PubChem CID103171769
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide
SMILESC=C(Br)CNS(=O)(=O)c1c(C)ccc(C)c1N
InChIInChI=1S/C11H15BrN2O2S/c1-7-4-5-8(2)11(10(7)13)17(15,16)14-6-9(3)12/h4-5,14H,3,6,13H2,1-2H3
InChIKeyIGBSGIVVWZWXNF-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.07
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

2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide
CID 103170957
3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 103171406
2-amino-N-[3-(2-hydroxyethoxy)propyl]-3,6-dimethylbenzenesulfonamide
CID 106308656
3-amino-N-(2-bromoprop-2-enyl)-2,4-difluorobenzenesulfonamide
CID 107343821
2-amino-N-(4-methoxybutyl)-3,6-dimethylbenzenesulfonamide
CID 103171397
2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615118
3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide
CID 114380174
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3,6-dimethylbenzenesulfonamide
CID 103171540
2-amino-3,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327896
2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 103171067
2-amino-3,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 103171290
2-amino-3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103171325

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide (CID 103171769) is 2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide is C=C(Br)CNS(=O)(=O)c1c(C)ccc(C)c1N.
What is the InChIKey of 2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is IGBSGIVVWZWXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-7-4-5-8(2)11(10(7)13)17(15,16)14-6-9(3)12/h4-5,14H,3,6,13H2,1-2H3.
What are the key properties of 2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide?
2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide has a molecular weight of 319.22 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromoprop-2-enyl)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 103171769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).