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

C15H19ClN2O5S — CID 1087746

IUPAC(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1
InChIInChI=1S/C15H19ClN2O5S/c16-13-2-1-12(15(19)17-3-7-22-8-4-17)11-14(13)24(20,21)18-5-9-23-10-6-18/h1-2,11H,3-10H2
InChIKeyOZGKYJWJNYCEMK-UHFFFAOYSA-N
MW374.85 g/mol
LogP0.83
Rot. Bonds3

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

(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone (PubChem CID 1087746) has the molecular formula C15H19ClN2O5S and a molecular weight of 374.85 g/mol. Its IUPAC name is (4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
PubChem CID1087746
Molecular FormulaC15H19ClN2O5S
Molecular Weight374.85 g/mol
Exact Mass374.07
IUPAC Name(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1
InChIInChI=1S/C15H19ClN2O5S/c16-13-2-1-12(15(19)17-3-7-22-8-4-17)11-14(13)24(20,21)18-5-9-23-10-6-18/h1-2,11H,3-10H2
InChIKeyOZGKYJWJNYCEMK-UHFFFAOYSA-N
XLogP0.83
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
N-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 55674304
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
CID 1092795
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2207423
azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 7964090
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 7719605
(2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 7667130
(2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2433649
[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 55970681
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone (CID 1087746) is (4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone is O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1.
What is the InChIKey of (4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone?
The InChIKey is OZGKYJWJNYCEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O5S/c16-13-2-1-12(15(19)17-3-7-22-8-4-17)11-14(13)24(20,21)18-5-9-23-10-6-18/h1-2,11H,3-10H2.
What are the key properties of (4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone?
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone has a molecular weight of 374.85 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 1087746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).