N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide

C20H24ClNO4S — CID 47071943

IUPACN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)N(C2CC2)C(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClNO4S/c1-15(16-3-5-17(21)6-4-16)22(18-7-8-18)27(23,24)20-11-9-19(10-12-20)26-14-13-25-2/h3-6,9-12,15,18H,7-8,13-14H2,1-2H3
InChIKeyDUMRMDTUVGPTSU-UHFFFAOYSA-N
MW409.94 g/mol
LogP4.28
Rot. Bonds9

About N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide

N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 47071943) has the molecular formula C20H24ClNO4S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide
PubChem CID47071943
Molecular FormulaC20H24ClNO4S
Molecular Weight409.94 g/mol
Exact Mass409.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)N(C2CC2)C(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClNO4S/c1-15(16-3-5-17(21)6-4-16)22(18-7-8-18)27(23,24)20-11-9-19(10-12-20)26-14-13-25-2/h3-6,9-12,15,18H,7-8,13-14H2,1-2H3
InChIKeyDUMRMDTUVGPTSU-UHFFFAOYSA-N
XLogP4.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-methylsulfonylbenzenesulfonamide
CID 47071942
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide
CID 55594655
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 40741883
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]acetamide
CID 28548561
N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 61233827
2-(4-chlorophenoxy)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253861
2-(4-chlorophenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 2602447
4-(2-methoxyethoxy)benzenesulfonyl fluoride
CID 98661024
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
2-(N-(4-chlorophenyl)sulfonyl-4-propoxyanilino)propanoyl chloride
CID 50894626
methyl (2S)-2-[cyclopropyl-(3,4-difluorophenyl)sulfonylamino]propanoate
CID 95313233

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide (CID 47071943) is N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)N(C2CC2)C(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is DUMRMDTUVGPTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4S/c1-15(16-3-5-17(21)6-4-16)22(18-7-8-18)27(23,24)20-11-9-19(10-12-20)26-14-13-25-2/h3-6,9-12,15,18H,7-8,13-14H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide?
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 409.94 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 47071943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).