(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine

C16H16ClNO3S — CID 51696505

IUPAC(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H16ClNO3S/c17-14-7-4-8-15(11-14)22(19,20)18-9-10-21-16(12-18)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2/t16-/m1/s1
InChIKeyCIVVOVICHKLWSK-MRXNPFEDSA-N
MW337.83 g/mol
LogP3.10
Rot. Bonds3

About (2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine

(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine (PubChem CID 51696505) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is (2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine.

Molecular Properties

Compound Name(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
PubChem CID51696505
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H16ClNO3S/c17-14-7-4-8-15(11-14)22(19,20)18-9-10-21-16(12-18)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2/t16-/m1/s1
InChIKeyCIVVOVICHKLWSK-MRXNPFEDSA-N
XLogP3.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-4-(3-chlorophenyl)sulfonylmorpholine
CID 110326938
3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylbenzoic acid
CID 110416888
2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine
CID 110327031
2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
CID 110327027
2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433238
2-(3-chlorophenyl)-4-(4-ethylphenyl)sulfonylmorpholine
CID 110327021
4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide
CID 79675206
(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
CID 42109148
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide
CID 110609461
(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine
CID 96545659
3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one
CID 71806101

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine?
The IUPAC name of (2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine (CID 51696505) is (2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine.
What is the SMILES notation for (2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine?
The canonical SMILES for (2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine is O=S(=O)(c1cccc(Cl)c1)N1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine?
The InChIKey is CIVVOVICHKLWSK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c17-14-7-4-8-15(11-14)22(19,20)18-9-10-21-16(12-18)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2/t16-/m1/s1.
What are the key properties of (2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine?
(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine has a molecular weight of 337.83 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine is sourced from PubChem (CID 51696505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).