(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone

C12H14ClNO4S — CID 26583462

IUPAC(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
SMILESCS(=O)(=O)c1cc(C(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C12H14ClNO4S/c1-19(16,17)11-8-9(2-3-10(11)13)12(15)14-4-6-18-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyFYEPUOUKEOLQEA-UHFFFAOYSA-N
MW303.77 g/mol
LogP1.22
Rot. Bonds2

About (4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone

(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone (PubChem CID 26583462) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is (4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
PubChem CID26583462
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Name(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
SMILESCS(=O)(=O)c1cc(C(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C12H14ClNO4S/c1-19(16,17)11-8-9(2-3-10(11)13)12(15)14-4-6-18-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyFYEPUOUKEOLQEA-UHFFFAOYSA-N
XLogP1.22
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
(4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 26773669
(4-chloro-3-methylsulfonylphenyl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777646
N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 49014229
1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide
CID 31307506
2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 1289241
(4-chloro-3-methylsulfonylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029528
2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65370060
3-chloro-2-methyl-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 65375991
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
2-[1-(4-chloro-3-methylsulfonylbenzoyl)azetidin-3-yl]acetic acid
CID 64603749
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone (CID 26583462) is (4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone is CS(=O)(=O)c1cc(C(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone?
The InChIKey is FYEPUOUKEOLQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c1-19(16,17)11-8-9(2-3-10(11)13)12(15)14-4-6-18-7-5-14/h2-3,8H,4-7H2,1H3.
What are the key properties of (4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone?
(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone has a molecular weight of 303.77 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 26583462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).