5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C14H21BrN2O4S — CID 1257884

IUPAC5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1cc(C)c(Br)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C14H21BrN2O4S/c1-11-9-13(20-2)14(10-12(11)15)22(18,19)16-3-4-17-5-7-21-8-6-17/h9-10,16H,3-8H2,1-2H3
InChIKeyHMLRDXCRWRKBTD-UHFFFAOYSA-N
MW393.30 g/mol
LogP1.38
Rot. Bonds6

About 5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 1257884) has the molecular formula C14H21BrN2O4S and a molecular weight of 393.30 g/mol. Its IUPAC name is 5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID1257884
Molecular FormulaC14H21BrN2O4S
Molecular Weight393.30 g/mol
Exact Mass392.04
IUPAC Name5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1cc(C)c(Br)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C14H21BrN2O4S/c1-11-9-13(20-2)14(10-12(11)15)22(18,19)16-3-4-17-5-7-21-8-6-17/h9-10,16H,3-8H2,1-2H3
InChIKeyHMLRDXCRWRKBTD-UHFFFAOYSA-N
XLogP1.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-methoxy-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1143545
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
1-[(5-Bromo-2-methoxy-4-methylphenyl)sulfonyl]pyrrolidine
CID 1259406
5-bromo-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
CID 2980821
4-[(5-Bromo-2-methoxy-4-methylphenyl)sulfonyl]morpholine
CID 1258040
5-bromo-2-methoxy-4-methyl-N-[3-(4-morpholinyl)propyl]benzenesulfonamide
CID 2235534
5-bromo-2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2980271
1-((5-Bromo-2-methoxy-4-methylphenyl)sulfonyl)piperidine-4-carboxamide
CID 15944025
2-(4-((5-Bromo-2-methoxy-4-methylphenyl)sulfonyl)piperazin-1-yl)ethanol
CID 16044485
5-bromo-N-(2-(cyclohex-1-en-1-yl)ethyl)-2-methoxy-4-methylbenzenesulfonamide
CID 20105303
5-bromo-2-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 132378597
1-(5-Bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine
CID 1259438

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 1257884) is 5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is COc1cc(C)c(Br)cc1S(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of 5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is HMLRDXCRWRKBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O4S/c1-11-9-13(20-2)14(10-12(11)15)22(18,19)16-3-4-17-5-7-21-8-6-17/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 393.30 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1257884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).