5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide

C20H25ClN2O6S2 — CID 30126282

IUPAC5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H25ClN2O6S2/c1-2-29-19-8-5-17(21)15-20(19)30(24,25)22-10-9-16-3-6-18(7-4-16)31(26,27)23-11-13-28-14-12-23/h3-8,15,22H,2,9-14H2,1H3
InChIKeySCEQCRQZTHOZKA-UHFFFAOYSA-N
MW489.02 g/mol
LogP2.28
Rot. Bonds9

About 5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide

5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide (PubChem CID 30126282) has the molecular formula C20H25ClN2O6S2 and a molecular weight of 489.02 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide
PubChem CID30126282
Molecular FormulaC20H25ClN2O6S2
Molecular Weight489.02 g/mol
Exact Mass488.08
IUPAC Name5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H25ClN2O6S2/c1-2-29-19-8-5-17(21)15-20(19)30(24,25)22-10-9-16-3-6-18(7-4-16)31(26,27)23-11-13-28-14-12-23/h3-8,15,22H,2,9-14H2,1H3
InChIKeySCEQCRQZTHOZKA-UHFFFAOYSA-N
XLogP2.28
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.02
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-ethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126277
N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide
CID 30126350
2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126027
4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890649
3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6464011
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide
CID 43875221
5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-propylbenzenesulfonamide
CID 5306904
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30146034
5-chloro-2-methoxy-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890316
3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126082
2-ethoxy-5-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890303
5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 4830347

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide (CID 30126282) is 5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide is CCOc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide?
The InChIKey is SCEQCRQZTHOZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O6S2/c1-2-29-19-8-5-17(21)15-20(19)30(24,25)22-10-9-16-3-6-18(7-4-16)31(26,27)23-11-13-28-14-12-23/h3-8,15,22H,2,9-14H2,1H3.
What are the key properties of 5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide?
5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide has a molecular weight of 489.02 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 30126282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).