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

C10H13BrClNO3S — CID 61060615

IUPAC4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClNO3S/c1-13(5-6-16-2)17(14,15)10-4-3-8(11)7-9(10)12/h3-4,7H,5-6H2,1-2H3
InChIKeyNYOZAQKVKLDOJV-UHFFFAOYSA-N
MW342.64 g/mol
LogP2.37
Rot. Bonds5

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

4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 61060615) has the molecular formula C10H13BrClNO3S and a molecular weight of 342.64 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
PubChem CID61060615
Molecular FormulaC10H13BrClNO3S
Molecular Weight342.64 g/mol
Exact Mass340.95
IUPAC Name4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClNO3S/c1-13(5-6-16-2)17(14,15)10-4-3-8(11)7-9(10)12/h3-4,7H,5-6H2,1-2H3
InChIKeyNYOZAQKVKLDOJV-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

2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 47305772
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
CID 106441744
4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 54978994
methyl 4-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]butanoate
CID 60715415
4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 61066587
methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate
CID 39965306
4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide
CID 115611951
4-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387516
4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 62985193
4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43019357
3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 106545645
4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30329505

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (CID 61060615) is 4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is COCCN(C)S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is NYOZAQKVKLDOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO3S/c1-13(5-6-16-2)17(14,15)10-4-3-8(11)7-9(10)12/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
4-bromo-2-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 4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 61060615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).