4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide

C22H30N2O4S — CID 24816326

IUPAC4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)Nc2ccc(C3CN(CC)CCO3)cc2)cc1
InChIInChI=1S/C22H30N2O4S/c1-3-5-15-27-20-10-12-21(13-11-20)29(25,26)23-19-8-6-18(7-9-19)22-17-24(4-2)14-16-28-22/h6-13,22-23H,3-5,14-17H2,1-2H3
InChIKeyJZEXKXZJLZTMKH-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.06
Rot. Bonds9

About 4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide

4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide (PubChem CID 24816326) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
PubChem CID24816326
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)Nc2ccc(C3CN(CC)CCO3)cc2)cc1
InChIInChI=1S/C22H30N2O4S/c1-3-5-15-27-20-10-12-21(13-11-20)29(25,26)23-19-8-6-18(7-9-19)22-17-24(4-2)14-16-28-22/h6-13,22-23H,3-5,14-17H2,1-2H3
InChIKeyJZEXKXZJLZTMKH-UHFFFAOYSA-N
XLogP4.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 24815911
4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
CID 24816093
3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide
CID 24816324
N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 24815719
2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
CID 24816169
2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride
CID 141298267
N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 24816089
3-[(2S)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
CID 124564158
3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
CID 124564157
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
4-[2-[4-[(4-butoxyphenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68692100
N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide
CID 18515517

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide (CID 24816326) is 4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide is CCCCOc1ccc(S(=O)(=O)Nc2ccc(C3CN(CC)CCO3)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is JZEXKXZJLZTMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-3-5-15-27-20-10-12-21(13-11-20)29(25,26)23-19-8-6-18(7-9-19)22-17-24(4-2)14-16-28-22/h6-13,22-23H,3-5,14-17H2,1-2H3.
What are the key properties of 4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide?
4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 418.56 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24816326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).