4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide

C13H17ClN2O4S — CID 2242336

IUPAC4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C13H17ClN2O4S/c14-11-1-3-12(4-2-11)21(18,19)15-6-5-13(17)16-7-9-20-10-8-16/h1-4,15H,5-10H2
InChIKeyZHVWRIZQCMVFJT-UHFFFAOYSA-N
MW332.81 g/mol
LogP0.87
Rot. Bonds5

About 4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide

4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (PubChem CID 2242336) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
PubChem CID2242336
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C13H17ClN2O4S/c14-11-1-3-12(4-2-11)21(18,19)15-6-5-13(17)16-7-9-20-10-8-16/h1-4,15H,5-10H2
InChIKeyZHVWRIZQCMVFJT-UHFFFAOYSA-N
XLogP0.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 2236890
3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 24980433
4-chloro-N-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 24548002
N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide
CID 47372172
N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-4-chlorobenzenesulfonamide
CID 17225692
N-[3-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-chlorobenzenesulfonamide
CID 9294726
4-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 24643461
4-chloro-N-[3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 24545406
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate
CID 46284104
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (CID 2242336) is 4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The InChIKey is ZHVWRIZQCMVFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c14-11-1-3-12(4-2-11)21(18,19)15-6-5-13(17)16-7-9-20-10-8-16/h1-4,15H,5-10H2.
What are the key properties of 4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide has a molecular weight of 332.81 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 2242336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).