2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide

C13H19ClN2O3S — CID 110609493

IUPAC2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide
SMILESCCCNS(=O)(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H19ClN2O3S/c1-2-7-15-20(17,18)16-8-9-19-13(10-16)11-3-5-12(14)6-4-11/h3-6,13,15H,2,7-10H2,1H3
InChIKeyKRXYTKDIQGSHMS-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.96
Rot. Bonds5

About 2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide

2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide (PubChem CID 110609493) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide
PubChem CID110609493
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide
SMILESCCCNS(=O)(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H19ClN2O3S/c1-2-7-15-20(17,18)16-8-9-19-13(10-16)11-3-5-12(14)6-4-11/h3-6,13,15H,2,7-10H2,1H3
InChIKeyKRXYTKDIQGSHMS-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-propylmorpholine-4-sulfonamide
CID 110609463
2-(4-chlorophenyl)-N,N-dimethylmorpholine-4-sulfonamide
CID 47320271
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid
CID 60952065
2-(2-chlorophenyl)-N-ethylmorpholine-4-sulfonamide
CID 110609436
2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide
CID 110609461
2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine
CID 110364143
3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide
CID 110628411
(2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine
CID 95167565
4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
CID 24816093
2-(4-chlorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine
CID 110327129
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide (CID 110609493) is 2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide is CCCNS(=O)(=O)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide?
The InChIKey is KRXYTKDIQGSHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-2-7-15-20(17,18)16-8-9-19-13(10-16)11-3-5-12(14)6-4-11/h3-6,13,15H,2,7-10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide?
2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide is sourced from PubChem (CID 110609493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).