2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide

C15H21ClN2O4S — CID 110348840

IUPAC2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C15H21ClN2O4S/c1-11(2)14(15(19)18-7-9-22-10-8-18)17-23(20,21)13-6-4-3-5-12(13)16/h3-6,11,14,17H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyXGJNOSXVUAOIBI-AWEZNQCLSA-N
MW360.86 g/mol
LogP1.50
Rot. Bonds5

About 2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide

2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide (PubChem CID 110348840) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
PubChem CID110348840
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C15H21ClN2O4S/c1-11(2)14(15(19)18-7-9-22-10-8-18)17-23(20,21)13-6-4-3-5-12(13)16/h3-6,11,14,17H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyXGJNOSXVUAOIBI-AWEZNQCLSA-N
XLogP1.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide (CID 110348840) is 2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide is CC(C)[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)N1CCOCC1.
What is the InChIKey of 2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide?
The InChIKey is XGJNOSXVUAOIBI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-11(2)14(15(19)18-7-9-22-10-8-18)17-23(20,21)13-6-4-3-5-12(13)16/h3-6,11,14,17H,7-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide?
2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide has a molecular weight of 360.86 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 110348840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).