3-cyano-N-morpholin-4-ylbenzenesulfonamide

C11H13N3O3S — CID 83015557

IUPAC3-cyano-N-morpholin-4-ylbenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NN2CCOCC2)c1
InChIInChI=1S/C11H13N3O3S/c12-9-10-2-1-3-11(8-10)18(15,16)13-14-4-6-17-7-5-14/h1-3,8,13H,4-7H2
InChIKeyFOMXJPKHDRTSPW-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.08
Rot. Bonds3

About 3-cyano-N-morpholin-4-ylbenzenesulfonamide

3-cyano-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 83015557) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-cyano-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-morpholin-4-ylbenzenesulfonamide
PubChem CID83015557
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3-cyano-N-morpholin-4-ylbenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NN2CCOCC2)c1
InChIInChI=1S/C11H13N3O3S/c12-9-10-2-1-3-11(8-10)18(15,16)13-14-4-6-17-7-5-14/h1-3,8,13H,4-7H2
InChIKeyFOMXJPKHDRTSPW-UHFFFAOYSA-N
XLogP0.08
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83014024
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide
CID 103768645
1-(4-cyanophenyl)-N-morpholin-4-ylmethanesulfonamide
CID 83016499
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896523
3-hydroxy-N-piperidin-1-ylbenzenesulfonamide
CID 83019095
N-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide
CID 5086095
3-cyano-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzenesulfonamide
CID 5161699
3-cyano-N-(3-cyanopentan-3-yl)benzenesulfonamide
CID 61122321
4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83026009
3-cyano-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7510319

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 3-cyano-N-morpholin-4-ylbenzenesulfonamide (CID 83015557) is 3-cyano-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-cyano-N-morpholin-4-ylbenzenesulfonamide is N#Cc1cccc(S(=O)(=O)NN2CCOCC2)c1.
What is the InChIKey of 3-cyano-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is FOMXJPKHDRTSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c12-9-10-2-1-3-11(8-10)18(15,16)13-14-4-6-17-7-5-14/h1-3,8,13H,4-7H2.
What are the key properties of 3-cyano-N-morpholin-4-ylbenzenesulfonamide?
3-cyano-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 83015557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).