2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

C19H23BrN2O3S — CID 75875408

IUPAC2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCc1cccc(C(CNS(=O)(=O)c2ccccc2Br)N2CCOCC2)c1
InChIInChI=1S/C19H23BrN2O3S/c1-15-5-4-6-16(13-15)18(22-9-11-25-12-10-22)14-21-26(23,24)19-8-3-2-7-17(19)20/h2-8,13,18,21H,9-12,14H2,1H3
InChIKeyUKPASRPRCHBLFH-UHFFFAOYSA-N
MW439.38 g/mol
LogP3.11
Rot. Bonds6

About 2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 75875408) has the molecular formula C19H23BrN2O3S and a molecular weight of 439.38 g/mol. Its IUPAC name is 2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID75875408
Molecular FormulaC19H23BrN2O3S
Molecular Weight439.38 g/mol
Exact Mass438.06
IUPAC Name2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCc1cccc(C(CNS(=O)(=O)c2ccccc2Br)N2CCOCC2)c1
InChIInChI=1S/C19H23BrN2O3S/c1-15-5-4-6-16(13-15)18(22-9-11-25-12-10-22)14-21-26(23,24)19-8-3-2-7-17(19)20/h2-8,13,18,21H,9-12,14H2,1H3
InChIKeyUKPASRPRCHBLFH-UHFFFAOYSA-N
XLogP3.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75748883
2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064542
2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 25497004
4-acetyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 55682159
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55682115
3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide
CID 112506527
1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 75748881
N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55681813
2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 112506407
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide
CID 55558714
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide
CID 124741959
2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598948

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 75875408) is 2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is Cc1cccc(C(CNS(=O)(=O)c2ccccc2Br)N2CCOCC2)c1.
What is the InChIKey of 2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is UKPASRPRCHBLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S/c1-15-5-4-6-16(13-15)18(22-9-11-25-12-10-22)14-21-26(23,24)19-8-3-2-7-17(19)20/h2-8,13,18,21H,9-12,14H2,1H3.
What are the key properties of 2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 439.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 75875408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).