2-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzenesulfonamide

C20H26ClN3O3S — CID 43956585

IUPAC2-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCN(C)c1ccc(C(CNS(=O)(=O)c2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C20H26ClN3O3S/c1-23(2)17-9-7-16(8-10-17)19(24-11-13-27-14-12-24)15-22-28(25,26)20-6-4-3-5-18(20)21/h3-10,19,22H,11-15H2,1-2H3
InChIKeyHSQCDYPWRWHACZ-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.76
Rot. Bonds7

About 2-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzenesulfonamide

2-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 43956585) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID43956585
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name2-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCN(C)c1ccc(C(CNS(=O)(=O)c2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C20H26ClN3O3S/c1-23(2)17-9-7-16(8-10-17)19(24-11-13-27-14-12-24)15-22-28(25,26)20-6-4-3-5-18(20)21/h3-10,19,22H,11-15H2,1-2H3
InChIKeyHSQCDYPWRWHACZ-UHFFFAOYSA-N
XLogP2.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813423
4-[3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)phenyl]morpholine
CID 44247845
4-chloro-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738592
2-chloro-4-fluoro-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738595
4-chloro-N-[2-(4-methylanilino)-2-phenylethyl]benzenesulfonamide
CID 2898209
4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 4794708
4-chloro-N-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]benzenesulfonamide
CID 91800815
N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide
CID 2120968
4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 2784019
4-chloro-N-(2-(p-tolylamino)cyclohexyl)benzenesulfonamide
CID 2912198
2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide
CID 4816803
4-Chloro-N-{2-[4-(dimethylamino)phenyl]-2-(pyrrolidin-1-YL)ethyl}benzene-1-sulfonamide
CID 16028319

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzenesulfonamide (CID 43956585) is 2-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzenesulfonamide is CN(C)c1ccc(C(CNS(=O)(=O)c2ccccc2Cl)N2CCOCC2)cc1.
What is the InChIKey of 2-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is HSQCDYPWRWHACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3S/c1-23(2)17-9-7-16(8-10-17)19(24-11-13-27-14-12-24)15-22-28(25,26)20-6-4-3-5-18(20)21/h3-10,19,22H,11-15H2,1-2H3.
What are the key properties of 2-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzenesulfonamide?
2-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 423.97 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 43956585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).