5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide

C26H30ClN3O5S — CID 45191121

IUPAC5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1
InChIInChI=1S/C26H30ClN3O5S/c1-33-25-9-8-22(27)18-26(25)36(31,32)30(20-23-6-2-3-10-28-23)19-21-5-4-7-24(17-21)35-16-13-29-11-14-34-15-12-29/h2-10,17-18H,11-16,19-20H2,1H3
InChIKeyBHQZZTVUWDRCTM-UHFFFAOYSA-N
MW532.06 g/mol
LogP3.85
Rot. Bonds11

About 5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide

5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 45191121) has the molecular formula C26H30ClN3O5S and a molecular weight of 532.06 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID45191121
Molecular FormulaC26H30ClN3O5S
Molecular Weight532.06 g/mol
Exact Mass531.16
IUPAC Name5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1
InChIInChI=1S/C26H30ClN3O5S/c1-33-25-9-8-22(27)18-26(25)36(31,32)30(20-23-6-2-3-10-28-23)19-21-5-4-7-24(17-21)35-16-13-29-11-14-34-15-12-29/h2-10,17-18H,11-16,19-20H2,1H3
InChIKeyBHQZZTVUWDRCTM-UHFFFAOYSA-N
XLogP3.85
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.06
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 45191121) is 5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1.
What is the InChIKey of 5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is BHQZZTVUWDRCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O5S/c1-33-25-9-8-22(27)18-26(25)36(31,32)30(20-23-6-2-3-10-28-23)19-21-5-4-7-24(17-21)35-16-13-29-11-14-34-15-12-29/h2-10,17-18H,11-16,19-20H2,1H3.
What are the key properties of 5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 532.06 g/mol, XLogP of 3.85, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 45191121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).