4-(4-chloro-3-methylphenyl)sulfonylmorpholine

C11H14ClNO3S — CID 686061

IUPAC4-(4-chloro-3-methylphenyl)sulfonylmorpholine
SMILESCc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C11H14ClNO3S/c1-9-8-10(2-3-11(9)12)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyHMLCJTHMIOGMFP-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.67
Rot. Bonds2

About 4-(4-chloro-3-methylphenyl)sulfonylmorpholine

4-(4-chloro-3-methylphenyl)sulfonylmorpholine (PubChem CID 686061) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenyl)sulfonylmorpholine
PubChem CID686061
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name4-(4-chloro-3-methylphenyl)sulfonylmorpholine
SMILESCc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C11H14ClNO3S/c1-9-8-10(2-3-11(9)12)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyHMLCJTHMIOGMFP-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Chloro-benzenesulfonyl)-morpholine
CID 255686
2,4-Dichloro-3-methyl-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 2920213
2,4-dichloro-5-methyl-N-(3-morpholinopropyl)benzenesulfonamide
CID 3126386
4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 747984
4-(3-(Chloromethyl)benzenesulfonyl)morpholine
CID 2160995
4-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 1582747
4-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-2,6-dimethylmorpholine
CID 2940253
4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2235573
4-(4-Chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine
CID 2805841
4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide
CID 23799088
4-[(2-Chlorobenzyl)sulfonyl]morpholine
CID 580444
4-(3-Methylphenyl)sulfonylmorpholine
CID 15208636

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-chloro-3-methylphenyl)sulfonylmorpholine (CID 686061) is 4-(4-chloro-3-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-chloro-3-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-chloro-3-methylphenyl)sulfonylmorpholine is Cc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenyl)sulfonylmorpholine?
The InChIKey is HMLCJTHMIOGMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-9-8-10(2-3-11(9)12)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(4-chloro-3-methylphenyl)sulfonylmorpholine?
4-(4-chloro-3-methylphenyl)sulfonylmorpholine has a molecular weight of 275.76 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 686061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).