4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine

C18H21NO3S — CID 110364047

IUPAC4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
SMILESCCc1ccc(C2CN(S(=O)(=O)c3ccccc3)CCO2)cc1
InChIInChI=1S/C18H21NO3S/c1-2-15-8-10-16(11-9-15)18-14-19(12-13-22-18)23(20,21)17-6-4-3-5-7-17/h3-11,18H,2,12-14H2,1H3
InChIKeyBFBNELPBHCAUHA-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.01
Rot. Bonds4

About 4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine

4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine (PubChem CID 110364047) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
PubChem CID110364047
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
SMILESCCc1ccc(C2CN(S(=O)(=O)c3ccccc3)CCO2)cc1
InChIInChI=1S/C18H21NO3S/c1-2-15-8-10-16(11-9-15)18-14-19(12-13-22-18)23(20,21)17-6-4-3-5-7-17/h3-11,18H,2,12-14H2,1H3
InChIKeyBFBNELPBHCAUHA-UHFFFAOYSA-N
XLogP3.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine
CID 110364088
2-(3-chlorophenyl)-4-(4-ethylphenyl)sulfonylmorpholine
CID 110327021
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364061
2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110364078
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
CID 51696505
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine
CID 110364059
N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide
CID 25281428
(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine
CID 96545659
4-(benzenesulfonyl)-2-pyridin-2-ylmorpholine
CID 110270736
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine?
The IUPAC name of 4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine (CID 110364047) is 4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine is CCc1ccc(C2CN(S(=O)(=O)c3ccccc3)CCO2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine?
The InChIKey is BFBNELPBHCAUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-2-15-8-10-16(11-9-15)18-14-19(12-13-22-18)23(20,21)17-6-4-3-5-7-17/h3-11,18H,2,12-14H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine?
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine has a molecular weight of 331.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine is sourced from PubChem (CID 110364047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).