3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide

C15H21BrN2O4S — CID 55657452

IUPAC3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC1(C)CN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CCO1
InChIInChI=1S/C15H21BrN2O4S/c1-15(2)11-18(8-9-22-15)14(19)6-7-17-23(20,21)13-5-3-4-12(16)10-13/h3-5,10,17H,6-9,11H2,1-2H3
InChIKeySVIYHGFYXQPPFQ-UHFFFAOYSA-N
MW405.31 g/mol
LogP1.75
Rot. Bonds5

About 3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide

3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 55657452) has the molecular formula C15H21BrN2O4S and a molecular weight of 405.31 g/mol. Its IUPAC name is 3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID55657452
Molecular FormulaC15H21BrN2O4S
Molecular Weight405.31 g/mol
Exact Mass404.04
IUPAC Name3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC1(C)CN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CCO1
InChIInChI=1S/C15H21BrN2O4S/c1-15(2)11-18(8-9-22-15)14(19)6-7-17-23(20,21)13-5-3-4-12(16)10-13/h3-5,10,17H,6-9,11H2,1-2H3
InChIKeySVIYHGFYXQPPFQ-UHFFFAOYSA-N
XLogP1.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]-3,4-difluorobenzenesulfonamide
CID 86981340
3-bromo-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 29262191
N-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-bromobenzenesulfonamide
CID 31541405
ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
CID 55347050
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-acetyl-N-[3-[(3S)-3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 99784244
3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 78774480
N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]-2-phenylacetamide
CID 86981316
3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 24980433
3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 51149463
3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 26696299
3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
CID 55376365

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide (CID 55657452) is 3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide is CC1(C)CN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CCO1.
What is the InChIKey of 3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is SVIYHGFYXQPPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O4S/c1-15(2)11-18(8-9-22-15)14(19)6-7-17-23(20,21)13-5-3-4-12(16)10-13/h3-5,10,17H,6-9,11H2,1-2H3.
What are the key properties of 3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide?
3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 405.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 55657452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).