4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide

C13H17N3O3S — CID 103548799

IUPAC4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide
SMILESN#CCc1ccc(S(=O)(=O)NCC2COCCN2)cc1
InChIInChI=1S/C13H17N3O3S/c14-6-5-11-1-3-13(4-2-11)20(17,18)16-9-12-10-19-8-7-15-12/h1-4,12,15-16H,5,7-10H2
InChIKeyQUWJQZCXTLUNKI-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.02
Rot. Bonds5

About 4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide

4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide (PubChem CID 103548799) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide
PubChem CID103548799
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide
SMILESN#CCc1ccc(S(=O)(=O)NCC2COCCN2)cc1
InChIInChI=1S/C13H17N3O3S/c14-6-5-11-1-3-13(4-2-11)20(17,18)16-9-12-10-19-8-7-15-12/h1-4,12,15-16H,5,7-10H2
InChIKeyQUWJQZCXTLUNKI-UHFFFAOYSA-N
XLogP0.02
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 103548867
4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 79185566
4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103721136
2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103548886
methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate
CID 103548901
4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270235
1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide
CID 103549022
2-methyl-N-(morpholin-3-ylmethyl)-6-nitrobenzenesulfonamide
CID 103548838
4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide
CID 106442148
1,1-difluoro-N-(morpholin-3-ylmethyl)methanesulfonamide
CID 103548837
4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103549019
4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 103721070

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide (CID 103548799) is 4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide is N#CCc1ccc(S(=O)(=O)NCC2COCCN2)cc1.
What is the InChIKey of 4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide?
The InChIKey is QUWJQZCXTLUNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c14-6-5-11-1-3-13(4-2-11)20(17,18)16-9-12-10-19-8-7-15-12/h1-4,12,15-16H,5,7-10H2.
What are the key properties of 4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide?
4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 103548799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).