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

C10H14BrNO3S — CID 61060749

IUPAC2-bromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C10H14BrNO3S/c1-12(7-8-15-2)16(13,14)10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
InChIKeyXDJJBCRDHDDZDU-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.72
Rot. Bonds5

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

2-bromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 61060749) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
PubChem CID61060749
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name2-bromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C10H14BrNO3S/c1-12(7-8-15-2)16(13,14)10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
InChIKeyXDJJBCRDHDDZDU-UHFFFAOYSA-N
XLogP1.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 253128
CID 253128
CID 347453
CID 347453
CID 3696002
CID 3696002
CID 16060222
CID 16060222
CID 44602064
CID 44602064
CID 44602065
CID 44602065
CID 44602066
CID 44602066
CID 47359014
CID 47359014
CID 789098
CID 789098
CID 2995209
CID 2995209
CID 1069780
CID 1069780
CID 4453927
CID 4453927

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (CID 61060749) is 2-bromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is COCCN(C)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is XDJJBCRDHDDZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-12(7-8-15-2)16(13,14)10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-bromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
2-bromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 61060749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).