3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

C10H13BrClNO3S — CID 106545645

IUPAC3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H13BrClNO3S/c1-13(5-6-16-2)17(14,15)8-3-4-10(12)9(11)7-8/h3-4,7H,5-6H2,1-2H3
InChIKeyIGDXGPVIMDHEGL-UHFFFAOYSA-N
MW342.64 g/mol
LogP2.37
Rot. Bonds5

About 3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 106545645) has the molecular formula C10H13BrClNO3S and a molecular weight of 342.64 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
PubChem CID106545645
Molecular FormulaC10H13BrClNO3S
Molecular Weight342.64 g/mol
Exact Mass340.95
IUPAC Name3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H13BrClNO3S/c1-13(5-6-16-2)17(14,15)8-3-4-10(12)9(11)7-8/h3-4,7H,5-6H2,1-2H3
InChIKeyIGDXGPVIMDHEGL-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromo-4-chlorophenyl)sulfonyl-methylamino]butanoic acid
CID 106605185
3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 106545578
4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 54978994
4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61060615
2-chloro-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide
CID 61045808
3-chloro-N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)benzenesulfonamide
CID 107091387
3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
CID 106611161
2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 47305772
2-[(3-bromo-4-chlorophenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 106545297
3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 106611794
4-(cyanomethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 79184931
3-amino-4-bromo-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 115328826

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (CID 106545645) is 3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is COCCN(C)S(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is IGDXGPVIMDHEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO3S/c1-13(5-6-16-2)17(14,15)8-3-4-10(12)9(11)7-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 342.64 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 106545645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).