[4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone

C17H16ClNO4S — CID 3146247

IUPAC[4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCOCC1
InChIInChI=1S/C17H16ClNO4S/c18-14-3-7-16(8-4-14)24(21,22)15-5-1-13(2-6-15)17(20)19-9-11-23-12-10-19/h1-8H,9-12H2
InChIKeyIKDFXMQOMDDMHL-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.65
Rot. Bonds3

About [4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone

[4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone (PubChem CID 3146247) has the molecular formula C17H16ClNO4S and a molecular weight of 365.84 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone
PubChem CID3146247
Molecular FormulaC17H16ClNO4S
Molecular Weight365.84 g/mol
Exact Mass365.05
IUPAC Name[4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCOCC1
InChIInChI=1S/C17H16ClNO4S/c18-14-3-7-16(8-4-14)24(21,22)15-5-1-13(2-6-15)17(20)19-9-11-23-12-10-19/h1-8H,9-12H2
InChIKeyIKDFXMQOMDDMHL-UHFFFAOYSA-N
XLogP2.65
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 4091740
3-chloro-N-(4-((2R,6S)-2,6-dimethylmorpholine-4-carbonyl)benzyl)benzenesulfonamide
CID 984483
2-Chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide
CID 126507944
4-({3-[(4-Benzyl-1-piperidinyl)carbonyl]-4-chlorophenyl}sulfonyl)morpholine
CID 1216584
N-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 9117697
N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 16299307
(2-Chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 25161915
N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 16293760
[4-[(4-Chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone
CID 824493
4-(3-{[(4-Methylphenyl)sulfonyl]methyl}benzoyl)morpholine
CID 2232266
[4-(5-Chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2470315
3-chloro-N-{4-[(2,6-dimethyl-4-morpholinyl)carbonyl]benzyl}benzenesulfonamide
CID 3549443

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone (CID 3146247) is [4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone is O=C(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCOCC1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone?
The InChIKey is IKDFXMQOMDDMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4S/c18-14-3-7-16(8-4-14)24(21,22)15-5-1-13(2-6-15)17(20)19-9-11-23-12-10-19/h1-8H,9-12H2.
What are the key properties of [4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone?
[4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone has a molecular weight of 365.84 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3146247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).