2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

C10H14Br2N2O3S — CID 61127636

IUPAC2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C10H14Br2N2O3S/c1-14(3-4-17-2)18(15,16)10-8(12)5-7(11)6-9(10)13/h5-6H,3-4,13H2,1-2H3
InChIKeyCFCFOOONEYXLNC-UHFFFAOYSA-N
MW402.11 g/mol
LogP2.06
Rot. Bonds5

About 2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 61127636) has the molecular formula C10H14Br2N2O3S and a molecular weight of 402.11 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
PubChem CID61127636
Molecular FormulaC10H14Br2N2O3S
Molecular Weight402.11 g/mol
Exact Mass399.91
IUPAC Name2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C10H14Br2N2O3S/c1-14(3-4-17-2)18(15,16)10-8(12)5-7(11)6-9(10)13/h5-6H,3-4,13H2,1-2H3
InChIKeyCFCFOOONEYXLNC-UHFFFAOYSA-N
XLogP2.06
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.11
LogP ≤ 52.06
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-4,6-dibromo-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107197612
4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 54978994
2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 47305772
3-amino-5-bromo-N-(3-methoxypropyl)-N,2-dimethylbenzenesulfonamide
CID 114379564
4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053036
2-amino-4,6-dibromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79304411
2-amino-4,6-dibromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102991009
2-amino-4,6-dibromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63843936
2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111099
2-amino-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61125296
4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61060615
3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 106545645

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (CID 61127636) is 2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is COCCN(C)S(=O)(=O)c1c(N)cc(Br)cc1Br.
What is the InChIKey of 2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is CFCFOOONEYXLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O3S/c1-14(3-4-17-2)18(15,16)10-8(12)5-7(11)6-9(10)13/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 402.11 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 61127636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).