3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide

C13H21BrN2O3S — CID 2442102

IUPAC3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C13H21BrN2O3S/c1-4-16(5-2)9-8-15-20(17,18)11-6-7-13(19-3)12(14)10-11/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyBRQWOEVJHJZRAC-UHFFFAOYSA-N
MW365.29 g/mol
LogP2.08
Rot. Bonds8

About 3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide

3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 2442102) has the molecular formula C13H21BrN2O3S and a molecular weight of 365.29 g/mol. Its IUPAC name is 3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide
PubChem CID2442102
Molecular FormulaC13H21BrN2O3S
Molecular Weight365.29 g/mol
Exact Mass364.05
IUPAC Name3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C13H21BrN2O3S/c1-4-16(5-2)9-8-15-20(17,18)11-6-7-13(19-3)12(14)10-11/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyBRQWOEVJHJZRAC-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-((4-Methoxyphenyl)sulfonyl)piperazine
CID 797560
1-((3-Bromo-4-methoxyphenyl)sulfonyl)pyrrolidine
CID 765795
5-bromo-2-methoxy-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1143545
5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide
CID 882981
N-[2-(Diethylamino)ethyl]-3-Methoxy-Benzenesulfonamide
CID 71677774
1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-ethylpiperazine
CID 1295697
N-[3-(diethylamino)propyl]-4-methoxybenzenesulfonamide
CID 2165059
3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 880441
5-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 935464
1-(3-Bromo-4-methoxyphenyl)sulfonylpiperidine
CID 738615
3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide
CID 765790
1-[(3-Bromo-4-methoxyphenyl)sulfonyl]azepane
CID 800461

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide (CID 2442102) is 3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is BRQWOEVJHJZRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O3S/c1-4-16(5-2)9-8-15-20(17,18)11-6-7-13(19-3)12(14)10-11/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of 3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide?
3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 365.29 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 2442102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).