3-amino-2-bromo-5-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide

C10H15BrClN3O2S — CID 55152335

IUPAC3-amino-2-bromo-5-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C10H15BrClN3O2S/c1-15(2)4-3-14-18(16,17)9-6-7(12)5-8(13)10(9)11/h5-6,14H,3-4,13H2,1-2H3
InChIKeyQGNRSYRMWRMDKH-UHFFFAOYSA-N
MW356.67 g/mol
LogP1.52
Rot. Bonds5

About 3-amino-2-bromo-5-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide

3-amino-2-bromo-5-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 55152335) has the molecular formula C10H15BrClN3O2S and a molecular weight of 356.67 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID55152335
Molecular FormulaC10H15BrClN3O2S
Molecular Weight356.67 g/mol
Exact Mass354.98
IUPAC Name3-amino-2-bromo-5-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C10H15BrClN3O2S/c1-15(2)4-3-14-18(16,17)9-6-7(12)5-8(13)10(9)11/h5-6,14H,3-4,13H2,1-2H3
InChIKeyQGNRSYRMWRMDKH-UHFFFAOYSA-N
XLogP1.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide (CID 55152335) is 3-amino-2-bromo-5-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide is CN(C)CCNS(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is QGNRSYRMWRMDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3O2S/c1-15(2)4-3-14-18(16,17)9-6-7(12)5-8(13)10(9)11/h5-6,14H,3-4,13H2,1-2H3.
What are the key properties of 3-amino-2-bromo-5-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 356.67 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 55152335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).