3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide

C12H17BrN2O4S — CID 115323988

IUPAC3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CNCCO2)cc1Br
InChIInChI=1S/C12H17BrN2O4S/c1-18-12-3-2-10(6-11(12)13)20(16,17)15-8-9-7-14-4-5-19-9/h2-3,6,9,14-15H,4-5,7-8H2,1H3
InChIKeyQPKRMYZIPNVZNZ-UHFFFAOYSA-N
MW365.25 g/mol
LogP0.72
Rot. Bonds5

About 3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide

3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide (PubChem CID 115323988) has the molecular formula C12H17BrN2O4S and a molecular weight of 365.25 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide
PubChem CID115323988
Molecular FormulaC12H17BrN2O4S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC Name3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CNCCO2)cc1Br
InChIInChI=1S/C12H17BrN2O4S/c1-18-12-3-2-10(6-11(12)13)20(16,17)15-8-9-7-14-4-5-19-9/h2-3,6,9,14-15H,4-5,7-8H2,1H3
InChIKeyQPKRMYZIPNVZNZ-UHFFFAOYSA-N
XLogP0.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide
CID 115324014
N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide
CID 115323924
2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 115323952
4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 116527974
3-iodo-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1248695
2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide
CID 115323961
4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
CID 6471718
4-iodo-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 34886718
4-iodo-3-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19132665
5-bromo-4-chloro-N-(morpholin-2-ylmethyl)thiophene-2-sulfonamide
CID 115323934
4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide
CID 154741903
3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723853

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide (CID 115323988) is 3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CNCCO2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide?
The InChIKey is QPKRMYZIPNVZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S/c1-18-12-3-2-10(6-11(12)13)20(16,17)15-8-9-7-14-4-5-19-9/h2-3,6,9,14-15H,4-5,7-8H2,1H3.
What are the key properties of 3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide?
3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide has a molecular weight of 365.25 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 115323988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).