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

C21H29ClN2O4S — CID 43062063

IUPACN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)c1ccc(OCCOC)cc1)c1ccccc1Cl
InChIInChI=1S/C21H29ClN2O4S/c1-4-24(5-2)21(19-8-6-7-9-20(19)22)16-23-29(25,26)18-12-10-17(11-13-18)28-15-14-27-3/h6-13,21,23H,4-5,14-16H2,1-3H3
InChIKeyVDBXLMMVJLNRHO-UHFFFAOYSA-N
MW440.99 g/mol
LogP3.73
Rot. Bonds12

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

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 43062063) has the molecular formula C21H29ClN2O4S and a molecular weight of 440.99 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
PubChem CID43062063
Molecular FormulaC21H29ClN2O4S
Molecular Weight440.99 g/mol
Exact Mass440.15
IUPAC NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)c1ccc(OCCOC)cc1)c1ccccc1Cl
InChIInChI=1S/C21H29ClN2O4S/c1-4-24(5-2)21(19-8-6-7-9-20(19)22)16-23-29(25,26)18-12-10-17(11-13-18)28-15-14-27-3/h6-13,21,23H,4-5,14-16H2,1-3H3
InChIKeyVDBXLMMVJLNRHO-UHFFFAOYSA-N
XLogP3.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.99
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide
CID 97349330
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 16960227
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide
CID 60568297
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 46522484
4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198403
4-chloro-N-[(2S)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198405
N-[4-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710904
N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710902
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56547079
N-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 96999670
N-(2-benzyl-3-hydroxypropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 71846532
N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35295897

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide (CID 43062063) is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide is CCN(CC)C(CNS(=O)(=O)c1ccc(OCCOC)cc1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is VDBXLMMVJLNRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O4S/c1-4-24(5-2)21(19-8-6-7-9-20(19)22)16-23-29(25,26)18-12-10-17(11-13-18)28-15-14-27-3/h6-13,21,23H,4-5,14-16H2,1-3H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide?
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 440.99 g/mol, XLogP of 3.73, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 43062063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).