N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide

C15H23N3O3S — CID 110400494

IUPACN-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(N2CCCC2)ccc1N1CCOCC1
InChIInChI=1S/C15H23N3O3S/c1-22(19,20)16-14-12-13(17-6-2-3-7-17)4-5-15(14)18-8-10-21-11-9-18/h4-5,12,16H,2-3,6-11H2,1H3
InChIKeyLOHZVBCXFVWRBC-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.49
Rot. Bonds4

About N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide

N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide (PubChem CID 110400494) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide
PubChem CID110400494
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(N2CCCC2)ccc1N1CCOCC1
InChIInChI=1S/C15H23N3O3S/c1-22(19,20)16-14-12-13(17-6-2-3-7-17)4-5-15(14)18-8-10-21-11-9-18/h4-5,12,16H,2-3,6-11H2,1H3
InChIKeyLOHZVBCXFVWRBC-UHFFFAOYSA-N
XLogP1.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110400433
N-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110361942
N-[2-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
CID 90064794
N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide
CID 110400368
N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362516
2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400396
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400455
4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 110400478
2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400474
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide?
The IUPAC name of N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide (CID 110400494) is N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide is CS(=O)(=O)Nc1cc(N2CCCC2)ccc1N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide?
The InChIKey is LOHZVBCXFVWRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-22(19,20)16-14-12-13(17-6-2-3-7-17)4-5-15(14)18-8-10-21-11-9-18/h4-5,12,16H,2-3,6-11H2,1H3.
What are the key properties of N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide?
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide is sourced from PubChem (CID 110400494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).