4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide

C19H29BrN2O4S — CID 22568119

IUPAC4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide
SMILESCN(C1CCC(OCCN2CCOCC2)CC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H29BrN2O4S/c1-21(27(23,24)19-8-2-16(20)3-9-19)17-4-6-18(7-5-17)26-15-12-22-10-13-25-14-11-22/h2-3,8-9,17-18H,4-7,10-15H2,1H3
InChIKeySFBREIRPCZMUKB-UHFFFAOYSA-N
MW461.42 g/mol
LogP2.73
Rot. Bonds7

About 4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide

4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide (PubChem CID 22568119) has the molecular formula C19H29BrN2O4S and a molecular weight of 461.42 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide
PubChem CID22568119
Molecular FormulaC19H29BrN2O4S
Molecular Weight461.42 g/mol
Exact Mass460.10
IUPAC Name4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide
SMILESCN(C1CCC(OCCN2CCOCC2)CC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H29BrN2O4S/c1-21(27(23,24)19-8-2-16(20)3-9-19)17-4-6-18(7-5-17)26-15-12-22-10-13-25-14-11-22/h2-3,8-9,17-18H,4-7,10-15H2,1H3
InChIKeySFBREIRPCZMUKB-UHFFFAOYSA-N
XLogP2.73
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 60639726
4-bromo-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide
CID 70022526
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
4-bromo-N-[4-[6-[ethyl(2-hydroxyethyl)amino]hexoxy]cyclohexyl]-N-methylbenzenesulfonamide
CID 22567660
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
4-[2-(4-propan-2-ylcyclohexyl)oxyethyl]morpholine
CID 71234494
6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one
CID 58154278
4-[(E)-[2-(4-bromophenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide
CID 6260246
N-methyl-N-[4-(2-pyrrolidin-2-ylethoxy)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
CID 70022827
4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide
CID 70022140
3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 61059874
1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
CID 61217397

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide (CID 22568119) is 4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide is CN(C1CCC(OCCN2CCOCC2)CC1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide?
The InChIKey is SFBREIRPCZMUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN2O4S/c1-21(27(23,24)19-8-2-16(20)3-9-19)17-4-6-18(7-5-17)26-15-12-22-10-13-25-14-11-22/h2-3,8-9,17-18H,4-7,10-15H2,1H3.
What are the key properties of 4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide?
4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide has a molecular weight of 461.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 22568119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).