4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide

C13H17ClN2O4S — CID 2955346

IUPAC4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C13H17ClN2O4S/c1-10(13(17)16-6-8-20-9-7-16)15-21(18,19)12-4-2-11(14)3-5-12/h2-5,10,15H,6-9H2,1H3
InChIKeyMLBQEPZBIJFIOB-UHFFFAOYSA-N
MW332.81 g/mol
LogP0.87
Rot. Bonds4

About 4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide

4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide (PubChem CID 2955346) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide
PubChem CID2955346
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C13H17ClN2O4S/c1-10(13(17)16-6-8-20-9-7-16)15-21(18,19)12-4-2-11(14)3-5-12/h2-5,10,15H,6-9H2,1H3
InChIKeyMLBQEPZBIJFIOB-UHFFFAOYSA-N
XLogP0.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119519000
4-chloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 95234190
4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide
CID 110347837
4-chloro-N-[(2S)-1-[4-(4-methylbenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 39566099
4-chloro-N-[(2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 56511808
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 47470284
3-chloro-4-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94797865
3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110347824
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 55348116
N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119485391
4-chloro-N-[(2S)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55942738
N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide
CID 4647066

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide (CID 2955346) is 4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCOCC1.
What is the InChIKey of 4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide?
The InChIKey is MLBQEPZBIJFIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-10(13(17)16-6-8-20-9-7-16)15-21(18,19)12-4-2-11(14)3-5-12/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide?
4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide has a molecular weight of 332.81 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 2955346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).