N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

C19H21ClN2O4S — CID 7733419

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-14(15-5-7-17(20)8-6-15)21-19(23)16-3-2-4-18(13-16)27(24,25)22-9-11-26-12-10-22/h2-8,13-14H,9-12H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyXCXSEOORZHVZFC-AWEZNQCLSA-N
MW408.91 g/mol
LogP2.85
Rot. Bonds5

About N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 7733419) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID7733419
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-14(15-5-7-17(20)8-6-15)21-19(23)16-3-2-4-18(13-16)27(24,25)22-9-11-26-12-10-22/h2-8,13-14H,9-12H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyXCXSEOORZHVZFC-AWEZNQCLSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944643
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944640
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 55893625
3-morpholin-4-ylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 27886460
N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9481709
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 25334099
N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 84834881
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 4690629
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712990

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (CID 7733419) is N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XCXSEOORZHVZFC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-14(15-5-7-17(20)8-6-15)21-19(23)16-3-2-4-18(13-16)27(24,25)22-9-11-26-12-10-22/h2-8,13-14H,9-12H2,1H3,(H,21,23)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 408.91 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 7733419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).