1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide

C19H23ClN2O3S — CID 16890660

IUPAC1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H23ClN2O3S/c20-18-3-1-2-17(14-18)15-26(23,24)21-9-8-16-4-6-19(7-5-16)22-10-12-25-13-11-22/h1-7,14,21H,8-13,15H2
InChIKeySIQXLCADBUVOCW-UHFFFAOYSA-N
MW394.92 g/mol
LogP2.84
Rot. Bonds7

About 1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide

1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide (PubChem CID 16890660) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
PubChem CID16890660
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H23ClN2O3S/c20-18-3-1-2-17(14-18)15-26(23,24)21-9-8-16-4-6-19(7-5-16)22-10-12-25-13-11-22/h1-7,14,21H,8-13,15H2
InChIKeySIQXLCADBUVOCW-UHFFFAOYSA-N
XLogP2.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
CID 16890659
1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide
CID 42388921
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-chlorobenzenesulfonamide
CID 16890345
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
CID 16890665
1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
1-[(3-chlorophenyl)methylsulfonyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 53283856
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513383
N-[2-(4-chlorophenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110412816
1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide
CID 16890576
1-(3-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide
CID 16933203
1-(3,4-dichlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]methanesulfonamide
CID 56581685

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide (CID 16890660) is 1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide is O=S(=O)(Cc1cccc(Cl)c1)NCCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide?
The InChIKey is SIQXLCADBUVOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c20-18-3-1-2-17(14-18)15-26(23,24)21-9-8-16-4-6-19(7-5-16)22-10-12-25-13-11-22/h1-7,14,21H,8-13,15H2.
What are the key properties of 1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide has a molecular weight of 394.92 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 16890660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).