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

C13H18N2O4S — CID 2977215

IUPACN-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H18N2O4S/c16-13(15-8-10-19-11-9-15)6-7-14-20(17,18)12-4-2-1-3-5-12/h1-5,14H,6-11H2
InChIKeyPDCOWVOBZWQDQY-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.21
Rot. Bonds5

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

N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (PubChem CID 2977215) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
PubChem CID2977215
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H18N2O4S/c16-13(15-8-10-19-11-9-15)6-7-14-20(17,18)12-4-2-1-3-5-12/h1-5,14H,6-11H2
InChIKeyPDCOWVOBZWQDQY-UHFFFAOYSA-N
XLogP0.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I-2)
CID 25059530
4-Fluoro-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 893873
4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 2242336
N~1~-[3-(4-Methylpiperidino)-3-oxopropyl]-1-benzenesulfonamide
CID 2537450
Ethyl 4-{3-[(phenylsulfonyl)amino]propanoyl}tetrahydro-1(2H)-pyrazinecarboxylate
CID 2977126
2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-(3-morpholin-4-yl-propyl)-acetamide
CID 6493539
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 17154096
(3S,4S)-1-(benzenesulfonyl)-N-(cyanomethyl)-4-(morpholine-4-carbonyl)pyrrolidine-3-carboxamide
CID 72793721
N~1~-[3-Oxo-3-(1-pyrrolidinyl)propyl]-1-benzenesulfonamide
CID 2978208
N-ethyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 2987913
2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 3163710
N-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 4540124

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The IUPAC name of N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (CID 2977215) is N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.
What is the SMILES notation for N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The canonical SMILES for N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1)N1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The InChIKey is PDCOWVOBZWQDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-13(15-8-10-19-11-9-15)6-7-14-20(17,18)12-4-2-1-3-5-12/h1-5,14H,6-11H2.
What are the key properties of N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 2977215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).