N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide

C14H20N2O4S — CID 87027248

IUPACN-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-2-11-21(18,19)15-13-5-3-12(4-6-13)14(17)16-7-9-20-10-8-16/h3-6,15H,2,7-11H2,1H3
InChIKeyJWPMWUVBIMOOTM-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.31
Rot. Bonds5

About N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide

N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide (PubChem CID 87027248) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide
PubChem CID87027248
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-2-11-21(18,19)15-13-5-3-12(4-6-13)14(17)16-7-9-20-10-8-16/h3-6,15H,2,7-11H2,1H3
InChIKeyJWPMWUVBIMOOTM-UHFFFAOYSA-N
XLogP1.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride
CID 119401361
N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide
CID 70728076
N-[4-(piperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 2995976
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 119539774
(2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide
CID 95772641
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 49188791
1-ethyl-3,5-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 171133591
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
1-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 63665538
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
CID 110352756
4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 26583543
1-butyl-3-[4-(morpholine-4-carbonyl)phenyl]thiourea
CID 17283707

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide (CID 87027248) is N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide?
The InChIKey is JWPMWUVBIMOOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-11-21(18,19)15-13-5-3-12(4-6-13)14(17)16-7-9-20-10-8-16/h3-6,15H,2,7-11H2,1H3.
What are the key properties of N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide?
N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 87027248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).