4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide

C19H21ClN2O3S2 — CID 86962238

IUPAC4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N2CCSCC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3S2/c1-2-21-27(24,25)17-9-5-15(6-10-17)19(23)22-11-12-26-13-18(22)14-3-7-16(20)8-4-14/h3-10,18,21H,2,11-13H2,1H3
InChIKeySDPXRCFOBKVUIY-UHFFFAOYSA-N
MW424.98 g/mol
LogP3.57
Rot. Bonds5

About 4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide

4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide (PubChem CID 86962238) has the molecular formula C19H21ClN2O3S2 and a molecular weight of 424.98 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide
PubChem CID86962238
Molecular FormulaC19H21ClN2O3S2
Molecular Weight424.98 g/mol
Exact Mass424.07
IUPAC Name4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N2CCSCC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3S2/c1-2-21-27(24,25)17-9-5-15(6-10-17)19(23)22-11-12-26-13-18(22)14-3-7-16(20)8-4-14/h3-10,18,21H,2,11-13H2,1H3
InChIKeySDPXRCFOBKVUIY-UHFFFAOYSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[(2S)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 32626765
5-amino-1-[4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]phenyl]pyrazole-4-carbonitrile
CID 102557392
4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-N-ethylbenzenesulfonamide
CID 79406673
3-[(3S)-3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95770521
N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 120737744
N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 120732145
4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216316
N-ethyl-4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 32771990
[3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone
CID 119329037
N-ethyl-4-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CID 33166182
N-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide
CID 166222395
7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride
CID 119793251

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide (CID 86962238) is 4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(C(=O)N2CCSCC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide?
The InChIKey is SDPXRCFOBKVUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S2/c1-2-21-27(24,25)17-9-5-15(6-10-17)19(23)22-11-12-26-13-18(22)14-3-7-16(20)8-4-14/h3-10,18,21H,2,11-13H2,1H3.
What are the key properties of 4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide?
4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide has a molecular weight of 424.98 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 86962238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).