N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide

C20H26N2O4S — CID 110637700

IUPACN-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-26-18-9-11-19(12-10-18)27(23,24)21-16-5-7-17(8-6-16)22-13-14-25-15-20(22,2)3/h5-12,21H,4,13-15H2,1-3H3
InChIKeyNRYOSXZGSCBZIP-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.50
Rot. Bonds6

About N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide

N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide (PubChem CID 110637700) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide
PubChem CID110637700
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-26-18-9-11-19(12-10-18)27(23,24)21-16-5-7-17(8-6-16)22-13-14-25-15-20(22,2)3/h5-12,21H,4,13-15H2,1-3H3
InChIKeyNRYOSXZGSCBZIP-UHFFFAOYSA-N
XLogP3.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372508
3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide
CID 110637706
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 21005017
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110359849
3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 9030518
2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid
CID 46325373
4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 121141816
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide (CID 110637700) is N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3(C)C)cc2)cc1.
What is the InChIKey of N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide?
The InChIKey is NRYOSXZGSCBZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-26-18-9-11-19(12-10-18)27(23,24)21-16-5-7-17(8-6-16)22-13-14-25-15-20(22,2)3/h5-12,21H,4,13-15H2,1-3H3.
What are the key properties of N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide?
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 110637700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).