3-bromo-N-methyl-5-morpholin-4-ylbenzenesulfonamide

C11H15BrN2O3S — CID 163230978

IUPAC3-bromo-N-methyl-5-morpholin-4-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(Br)cc(N2CCOCC2)c1
InChIInChI=1S/C11H15BrN2O3S/c1-13-18(15,16)11-7-9(12)6-10(8-11)14-2-4-17-5-3-14/h6-8,13H,2-5H2,1H3
InChIKeyGGBXYVZBRCKUTM-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.19
Rot. Bonds3

About 3-bromo-N-methyl-5-morpholin-4-ylbenzenesulfonamide

3-bromo-N-methyl-5-morpholin-4-ylbenzenesulfonamide (PubChem CID 163230978) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 3-bromo-N-methyl-5-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-methyl-5-morpholin-4-ylbenzenesulfonamide
PubChem CID163230978
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name3-bromo-N-methyl-5-morpholin-4-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(Br)cc(N2CCOCC2)c1
InChIInChI=1S/C11H15BrN2O3S/c1-13-18(15,16)11-7-9(12)6-10(8-11)14-2-4-17-5-3-14/h6-8,13H,2-5H2,1H3
InChIKeyGGBXYVZBRCKUTM-UHFFFAOYSA-N
XLogP1.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromo-5-ethylphenyl)morpholine
CID 155289670
N,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide
CID 28917114
4-(3-benzylsulfonyl-5-bromophenyl)morpholine;4-[3-bromo-5-[difluoro(phenyl)methyl]sulfonylphenyl]morpholine
CID 160842755
N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 49236430
N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide
CID 133298461
3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3856880
3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-morpholin-4-ylbenzenesulfonamide
CID 70648683
4-bromo-N-butyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 47075351
4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide
CID 83003158
ethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide
CID 145387625
4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890996
13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 10519968

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-5-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-methyl-5-morpholin-4-ylbenzenesulfonamide (CID 163230978) is 3-bromo-N-methyl-5-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-methyl-5-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-methyl-5-morpholin-4-ylbenzenesulfonamide is CNS(=O)(=O)c1cc(Br)cc(N2CCOCC2)c1.
What is the InChIKey of 3-bromo-N-methyl-5-morpholin-4-ylbenzenesulfonamide?
The InChIKey is GGBXYVZBRCKUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-13-18(15,16)11-7-9(12)6-10(8-11)14-2-4-17-5-3-14/h6-8,13H,2-5H2,1H3.
What are the key properties of 3-bromo-N-methyl-5-morpholin-4-ylbenzenesulfonamide?
3-bromo-N-methyl-5-morpholin-4-ylbenzenesulfonamide has a molecular weight of 335.22 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-5-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 163230978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).