N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide

C21H28N2O3S — CID 3812810

IUPACN-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-2-3-4-5-18-6-12-21(13-7-18)27(24,25)22-19-8-10-20(11-9-19)23-14-16-26-17-15-23/h6-13,22H,2-5,14-17H2,1H3
InChIKeyYWKOOZDEOCHLLU-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.06
Rot. Bonds8

About N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide

N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide (PubChem CID 3812810) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide
PubChem CID3812810
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-2-3-4-5-18-6-12-21(13-7-18)27(24,25)22-19-8-10-20(11-9-19)23-14-16-26-17-15-23/h6-13,22H,2-5,14-17H2,1H3
InChIKeyYWKOOZDEOCHLLU-UHFFFAOYSA-N
XLogP4.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8003799
4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890979
N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822486
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335
4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
CID 67071295
N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide
CID 16891041
4-(4-hexylphenyl)sulfonylmorpholine
CID 84557725
3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 9030518
1-(4-pentylphenyl)pyrrolidine
CID 168512151
4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890996
N-[4-(azepan-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 25358932
3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3856880

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide (CID 3812810) is N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide?
The InChIKey is YWKOOZDEOCHLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-2-3-4-5-18-6-12-21(13-7-18)27(24,25)22-19-8-10-20(11-9-19)23-14-16-26-17-15-23/h6-13,22H,2-5,14-17H2,1H3.
What are the key properties of N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide?
N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide has a molecular weight of 388.53 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide is sourced from PubChem (CID 3812810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).