5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-methoxybenzenesulfonamide

C17H21ClN2O3S — CID 16890471

IUPAC5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc(N(C)C)cc1
InChIInChI=1S/C17H21ClN2O3S/c1-20(2)15-7-4-13(5-8-15)10-11-19-24(21,22)17-12-14(18)6-9-16(17)23-3/h4-9,12,19H,10-11H2,1-3H3
InChIKeyMJMXKIAFIPZGDX-UHFFFAOYSA-N
MW368.89 g/mol
LogP2.94
Rot. Bonds7

About 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-methoxybenzenesulfonamide

5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-methoxybenzenesulfonamide (PubChem CID 16890471) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-methoxybenzenesulfonamide
PubChem CID16890471
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC Name5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc(N(C)C)cc1
InChIInChI=1S/C17H21ClN2O3S/c1-20(2)15-7-4-13(5-8-15)10-11-19-24(21,22)17-12-14(18)6-9-16(17)23-3/h4-9,12,19H,10-11H2,1-3H3
InChIKeyMJMXKIAFIPZGDX-UHFFFAOYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-methoxybenzenesulfonamide (CID 16890471) is 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc(N(C)C)cc1.
What is the InChIKey of 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is MJMXKIAFIPZGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-20(2)15-7-4-13(5-8-15)10-11-19-24(21,22)17-12-14(18)6-9-16(17)23-3/h4-9,12,19H,10-11H2,1-3H3.
What are the key properties of 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 368.89 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 16890471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).