1-(4-bromophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide

C13H21BrN2O2S — CID 72704499

IUPAC1-(4-bromophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyHBCFWYPMDICKNJ-UHFFFAOYSA-N
MW349.29 g/mol
LogP2.21
Rot. Bonds8

About 1-(4-bromophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide

1-(4-bromophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide (PubChem CID 72704499) has the molecular formula C13H21BrN2O2S and a molecular weight of 349.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
PubChem CID72704499
Molecular FormulaC13H21BrN2O2S
Molecular Weight349.29 g/mol
Exact Mass348.05
IUPAC Name1-(4-bromophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyHBCFWYPMDICKNJ-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-bromophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide (CID 72704499) is 1-(4-bromophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide is CCN(CC)CCNS(=O)(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide?
The InChIKey is HBCFWYPMDICKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide?
1-(4-bromophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide has a molecular weight of 349.29 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 72704499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).