2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide

C14H22N2O5S2 — CID 55896392

IUPAC2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
SMILESCC(CN1CCOCC1)NS(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H22N2O5S2/c1-12(11-16-7-9-21-10-8-16)15-23(19,20)14-6-4-3-5-13(14)22(2,17)18/h3-6,12,15H,7-11H2,1-2H3
InChIKeyAHUVYKQYAKIEGM-UHFFFAOYSA-N
MW362.47 g/mol
LogP0.09
Rot. Bonds6

About 2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide

2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide (PubChem CID 55896392) has the molecular formula C14H22N2O5S2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
PubChem CID55896392
Molecular FormulaC14H22N2O5S2
Molecular Weight362.47 g/mol
Exact Mass362.10
IUPAC Name2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
SMILESCC(CN1CCOCC1)NS(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H22N2O5S2/c1-12(11-16-7-9-21-10-8-16)15-23(19,20)14-6-4-3-5-13(14)22(2,17)18/h3-6,12,15H,7-11H2,1-2H3
InChIKeyAHUVYKQYAKIEGM-UHFFFAOYSA-N
XLogP0.09
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-1-morpholin-4-ylpropan-2-yl]naphthalene-1-sulfonamide
CID 97000893
2-amino-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
CID 62151539
2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
CID 62151364
2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 61060886
4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 47206424
4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 65479823
5-bromo-N-(1-morpholin-4-ylpropan-2-yl)thiophene-2-sulfonamide
CID 54938192
5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid
CID 136531093
2-ethyl-N-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 126830200
N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide
CID 122560120
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-methylbenzenesulfonamide
CID 110284609
5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912163

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide (CID 55896392) is 2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide is CC(CN1CCOCC1)NS(=O)(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is AHUVYKQYAKIEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S2/c1-12(11-16-7-9-21-10-8-16)15-23(19,20)14-6-4-3-5-13(14)22(2,17)18/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 362.47 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 55896392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).