4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide

C15H21BrN2O4S — CID 24979261

IUPAC4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC1CN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC(C)O1
InChIInChI=1S/C15H21BrN2O4S/c1-11-9-18(10-12(2)22-11)15(19)7-8-17-23(20,21)14-5-3-13(16)4-6-14/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyGFAOYLOLCDUGDX-UHFFFAOYSA-N
MW405.31 g/mol
LogP1.75
Rot. Bonds5

About 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide

4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 24979261) has the molecular formula C15H21BrN2O4S and a molecular weight of 405.31 g/mol. Its IUPAC name is 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID24979261
Molecular FormulaC15H21BrN2O4S
Molecular Weight405.31 g/mol
Exact Mass404.04
IUPAC Name4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC1CN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC(C)O1
InChIInChI=1S/C15H21BrN2O4S/c1-11-9-18(10-12(2)22-11)15(19)7-8-17-23(20,21)14-5-3-13(16)4-6-14/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyGFAOYLOLCDUGDX-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-(4-morpholinyl)-3-oxopropyl]benzenesulfonamide
CID 2977215
N~2~-[(4-bromophenyl)sulfonyl]-N~2~-methyl-N~1~-[3-(4-morpholinyl)propyl]glycinamide
CID 2977526
3-(4-Bromobenzenesulfonamido)-N-butylpropanamide
CID 4138424
N~3~-[(4-bromophenyl)sulfonyl]-N~1~-[3-(dipropylamino)propyl]-beta-alaninamide
CID 9550268
6-{[(4-bromophenyl)sulfonyl]amino}-N-(2-morpholin-4-ylethyl)hexanamide
CID 3237820
N1-((3-((4-bromophenyl)sulfonyl)oxazolidin-2-yl)methyl)-N2-(3-morpholinopropyl)oxalamide
CID 16807539
4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1210778
1-[(4-bromophenyl)sulfonyl]-N-(tetrahydro-2-furanylmethyl)-3-piperidinecarboxamide
CID 2981753
N~3~-[(4-bromophenyl)sulfonyl]-N~1~-isopropyl-beta-alaninamide
CID 3241446
N~3~-[(4-bromophenyl)sulfonyl]-N~1~-(sec-butyl)-beta-alaninamide
CID 3244113
4-bromo-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 4884036
3-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 17192333

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide (CID 24979261) is 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide is CC1CN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC(C)O1.
What is the InChIKey of 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is GFAOYLOLCDUGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O4S/c1-11-9-18(10-12(2)22-11)15(19)7-8-17-23(20,21)14-5-3-13(16)4-6-14/h3-6,11-12,17H,7-10H2,1-2H3.
What are the key properties of 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide?
4-bromo-N-[3-(2,6-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 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 24979261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).