4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide

C13H20BrN3O2S — CID 110608494

IUPAC4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCN(c2ccc(Br)c(C)c2)CC1
InChIInChI=1S/C13H20BrN3O2S/c1-3-15-20(18,19)17-8-6-16(7-9-17)12-4-5-13(14)11(2)10-12/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyAHUQVLNBZNMTJQ-UHFFFAOYSA-N
MW362.29 g/mol
LogP1.73
Rot. Bonds4

About 4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide

4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide (PubChem CID 110608494) has the molecular formula C13H20BrN3O2S and a molecular weight of 362.29 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide
PubChem CID110608494
Molecular FormulaC13H20BrN3O2S
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC Name4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCN(c2ccc(Br)c(C)c2)CC1
InChIInChI=1S/C13H20BrN3O2S/c1-3-15-20(18,19)17-8-6-16(7-9-17)12-4-5-13(14)11(2)10-12/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyAHUQVLNBZNMTJQ-UHFFFAOYSA-N
XLogP1.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide
CID 126808205
1-(3-bromo-4-methylphenyl)-4-butylsulfonylpiperazine
CID 113077343
1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine
CID 60861630
1-(4-bromo-3-methylphenyl)piperazine;hydrochloride
CID 21071017
4-(4-bromo-3-methylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105872
4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide
CID 99823659
N-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide
CID 155205327
[1-(4-bromo-3-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012428
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184061
1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 2198495
4-(4-bromo-3-methylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105384
1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine
CID 20736310

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide (CID 110608494) is 4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide is CCNS(=O)(=O)N1CCN(c2ccc(Br)c(C)c2)CC1.
What is the InChIKey of 4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide?
The InChIKey is AHUQVLNBZNMTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S/c1-3-15-20(18,19)17-8-6-16(7-9-17)12-4-5-13(14)11(2)10-12/h4-5,10,15H,3,6-9H2,1-2H3.
What are the key properties of 4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide?
4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide has a molecular weight of 362.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide is sourced from PubChem (CID 110608494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).