5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

C19H21ClN2O4S — CID 16895132

IUPAC5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C19H21ClN2O4S/c1-14-7-8-16(20)11-18(14)27(24,25)21-12-19(23)22-9-10-26-17(13-22)15-5-3-2-4-6-15/h2-8,11,17,21H,9-10,12-13H2,1H3
InChIKeySBAFKWJTGANFIA-UHFFFAOYSA-N
MW408.91 g/mol
LogP2.53
Rot. Bonds5

About 5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 16895132) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID16895132
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C19H21ClN2O4S/c1-14-7-8-16(20)11-18(14)27(24,25)21-12-19(23)22-9-10-26-17(13-22)15-5-3-2-4-6-15/h2-8,11,17,21H,9-10,12-13H2,1H3
InChIKeySBAFKWJTGANFIA-UHFFFAOYSA-N
XLogP2.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 27375956
2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895086
5-chloro-2-methyl-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866752
5-chloro-2-methyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866754
2,3,4,5,6-pentamethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895082
4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895090
2,5-dichloro-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 30851129
3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895102
2-anilino-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119725525
2-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16895165
5-chloro-2-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzamide
CID 16894767
2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16892861

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (CID 16895132) is 5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCC(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is SBAFKWJTGANFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-14-7-8-16(20)11-18(14)27(24,25)21-12-19(23)22-9-10-26-17(13-22)15-5-3-2-4-6-15/h2-8,11,17,21H,9-10,12-13H2,1H3.
What are the key properties of 5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 408.91 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16895132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).