N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

C19H21ClN2O4S — CID 8700706

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O4S/c1-14(17-4-2-3-5-18(17)20)21-19(23)15-6-8-16(9-7-15)27(24,25)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyDCDFGZKMXANNRL-CQSZACIVSA-N
MW408.91 g/mol
LogP2.85
Rot. Bonds5

About N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 8700706) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID8700706
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O4S/c1-14(17-4-2-3-5-18(17)20)21-19(23)15-6-8-16(9-7-15)27(24,25)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyDCDFGZKMXANNRL-CQSZACIVSA-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-(furan-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8856521
N-[(1S)-1-(furan-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8856511
4-morpholin-4-ylsulfonyl-N-(2-propan-2-ylphenyl)benzamide
CID 7958233
N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide
CID 42910401
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133217613
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100678969
N-[1-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20934008
N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-4-morpholin-4-ylsulfonylbenzamide
CID 9051733
N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide
CID 115575696
N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 7927777
(2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119361822
N-(dicyclopropylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 18146406

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (CID 8700706) is N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DCDFGZKMXANNRL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-14(17-4-2-3-5-18(17)20)21-19(23)15-6-8-16(9-7-15)27(24,25)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3,(H,21,23)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-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-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 8700706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).