2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C15H23BrN2O3S — CID 3138209

IUPAC2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCCCN2CCOCC2)cc1C
InChIInChI=1S/C15H23BrN2O3S/c1-12-10-14(16)15(11-13(12)2)22(19,20)17-4-3-5-18-6-8-21-9-7-18/h10-11,17H,3-9H2,1-2H3
InChIKeyKMGMYMOZFPQWCA-UHFFFAOYSA-N
MW391.33 g/mol
LogP2.07
Rot. Bonds6

About 2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 3138209) has the molecular formula C15H23BrN2O3S and a molecular weight of 391.33 g/mol. Its IUPAC name is 2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID3138209
Molecular FormulaC15H23BrN2O3S
Molecular Weight391.33 g/mol
Exact Mass390.06
IUPAC Name2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCCCN2CCOCC2)cc1C
InChIInChI=1S/C15H23BrN2O3S/c1-12-10-14(16)15(11-13(12)2)22(19,20)17-4-3-5-18-6-8-21-9-7-18/h10-11,17H,3-9H2,1-2H3
InChIKeyKMGMYMOZFPQWCA-UHFFFAOYSA-N
XLogP2.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43256797
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide
CID 3132631
2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 60986438
2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60822981
2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 654841
2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60731580
3-amino-4-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 115328739
2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591
4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide
CID 16644689
4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride
CID 3047039

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 3138209) is 2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)NCCCN2CCOCC2)cc1C.
What is the InChIKey of 2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is KMGMYMOZFPQWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3S/c1-12-10-14(16)15(11-13(12)2)22(19,20)17-4-3-5-18-6-8-21-9-7-18/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 391.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 3138209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).