5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C13H15BrN2O2S2 — CID 79476559

IUPAC5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C13H15BrN2O2S2/c1-16(7-6-11-3-2-8-19-11)20(17,18)13-9-10(15)4-5-12(13)14/h2-5,8-9H,6-7,15H2,1H3
InChIKeyRONNADIQQHRQGO-UHFFFAOYSA-N
MW375.31 g/mol
LogP2.96
Rot. Bonds5

About 5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 79476559) has the molecular formula C13H15BrN2O2S2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID79476559
Molecular FormulaC13H15BrN2O2S2
Molecular Weight375.31 g/mol
Exact Mass373.98
IUPAC Name5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C13H15BrN2O2S2/c1-16(7-6-11-3-2-8-19-11)20(17,18)13-9-10(15)4-5-12(13)14/h2-5,8-9H,6-7,15H2,1H3
InChIKeyRONNADIQQHRQGO-UHFFFAOYSA-N
XLogP2.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 79487909
5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 65207033
5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 65207195
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide
CID 79488126
3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79475968
4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid
CID 146121375
5-amino-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81052656
3-(aminomethyl)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79489922
2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9188295
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79488304
2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733479
5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 80728258

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 79476559) is 5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is CN(CCc1cccs1)S(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is RONNADIQQHRQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S2/c1-16(7-6-11-3-2-8-19-11)20(17,18)13-9-10(15)4-5-12(13)14/h2-5,8-9H,6-7,15H2,1H3.
What are the key properties of 5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 375.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 79476559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).