4-(4-chlorophenyl)sulfonyl-3-methylmorpholine

C11H14ClNO3S — CID 47171390

IUPAC4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
SMILESCC1COCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-9-8-16-7-6-13(9)17(14,15)11-4-2-10(12)3-5-11/h2-5,9H,6-8H2,1H3
InChIKeyJZLBBFGMJTWZEN-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.75
Rot. Bonds2

About 4-(4-chlorophenyl)sulfonyl-3-methylmorpholine

4-(4-chlorophenyl)sulfonyl-3-methylmorpholine (PubChem CID 47171390) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-3-methylmorpholine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
PubChem CID47171390
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
SMILESCC1COCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-9-8-16-7-6-13(9)17(14,15)11-4-2-10(12)3-5-11/h2-5,9H,6-8H2,1H3
InChIKeyJZLBBFGMJTWZEN-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43542367
4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline
CID 54888902
(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine
CID 51939603
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine
CID 110292279
(E)-3-[4-[(3R)-3-methylmorpholin-4-yl]sulfonylphenyl]prop-2-enoic acid
CID 106773963
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide
CID 110352399
4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine
CID 110105562
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide
CID 110352396
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64606726
(3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 106833798

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-3-methylmorpholine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-3-methylmorpholine (CID 47171390) is 4-(4-chlorophenyl)sulfonyl-3-methylmorpholine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-3-methylmorpholine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-3-methylmorpholine is CC1COCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-3-methylmorpholine?
The InChIKey is JZLBBFGMJTWZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-9-8-16-7-6-13(9)17(14,15)11-4-2-10(12)3-5-11/h2-5,9H,6-8H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-3-methylmorpholine?
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine has a molecular weight of 275.76 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-3-methylmorpholine is sourced from PubChem (CID 47171390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).