(4-chlorophenyl) morpholine-4-sulfonate

C10H12ClNO4S — CID 3680578

IUPAC(4-chlorophenyl) morpholine-4-sulfonate
SMILESO=S(=O)(Oc1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C10H12ClNO4S/c11-9-1-3-10(4-2-9)16-17(13,14)12-5-7-15-8-6-12/h1-4H,5-8H2
InChIKeyBQZCQBJXMQBAEY-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.30
Rot. Bonds3

About (4-chlorophenyl) morpholine-4-sulfonate

(4-chlorophenyl) morpholine-4-sulfonate (PubChem CID 3680578) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is (4-chlorophenyl) morpholine-4-sulfonate.

Molecular Properties

Compound Name(4-chlorophenyl) morpholine-4-sulfonate
PubChem CID3680578
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name(4-chlorophenyl) morpholine-4-sulfonate
SMILESO=S(=O)(Oc1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C10H12ClNO4S/c11-9-1-3-10(4-2-9)16-17(13,14)12-5-7-15-8-6-12/h1-4H,5-8H2
InChIKeyBQZCQBJXMQBAEY-UHFFFAOYSA-N
XLogP1.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
N-[(4-chlorophenyl)methyl]morpholine-4-sulfonamide
CID 51335123
(4-chlorophenyl) 4-bromo-3-morpholin-4-ylsulfonylbenzoate
CID 1079076
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide
CID 70751740
4-[4-(2-chlorophenoxy)phenyl]sulfonylmorpholine
CID 2940068
(5-chloroquinolin-8-yl) morpholine-4-sulfonate
CID 11841630
4-(4-chlorophenoxy)-1-(oxan-4-ylmethylsulfonyl)piperidine
CID 142646745
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate
CID 26970218
(4-tert-butylphenyl) 4-morpholin-4-ylsulfonylbenzenesulfonate
CID 32737743
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide
CID 172615015

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) morpholine-4-sulfonate?
The IUPAC name of (4-chlorophenyl) morpholine-4-sulfonate (CID 3680578) is (4-chlorophenyl) morpholine-4-sulfonate.
What is the SMILES notation for (4-chlorophenyl) morpholine-4-sulfonate?
The canonical SMILES for (4-chlorophenyl) morpholine-4-sulfonate is O=S(=O)(Oc1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of (4-chlorophenyl) morpholine-4-sulfonate?
The InChIKey is BQZCQBJXMQBAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c11-9-1-3-10(4-2-9)16-17(13,14)12-5-7-15-8-6-12/h1-4H,5-8H2.
What are the key properties of (4-chlorophenyl) morpholine-4-sulfonate?
(4-chlorophenyl) morpholine-4-sulfonate has a molecular weight of 277.73 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) morpholine-4-sulfonate is sourced from PubChem (CID 3680578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).