N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide

C11H14N2O3S — CID 43242609

IUPACN-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C11H14N2O3S/c1-2-9-17(14,15)13-10-3-5-11(6-4-10)16-8-7-12/h3-6,13H,2,8-9H2,1H3
InChIKeyNLMVVFCPMDRBAK-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.74
Rot. Bonds6

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

N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide (PubChem CID 43242609) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide
PubChem CID43242609
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C11H14N2O3S/c1-2-9-17(14,15)13-10-3-5-11(6-4-10)16-8-7-12/h3-6,13H,2,8-9H2,1H3
InChIKeyNLMVVFCPMDRBAK-UHFFFAOYSA-N
XLogP1.74
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide
CID 63664967
N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide
CID 62997815
N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide
CID 43175608
methyl 2-[4-(propylsulfonylamino)phenoxy]acetate
CID 61062745
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
2-hydroxy-N-(4-propoxyphenyl)ethanesulfonamide
CID 79578942
N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide
CID 115606497
methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate
CID 61458467
N-(4-propoxyphenyl)ethanesulfonamide
CID 50895245
2-[4-(heptan-4-ylamino)phenoxy]acetonitrile
CID 28653352
N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide
CID 112988919
2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide
CID 107651420

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide (CID 43242609) is N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(OCC#N)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide?
The InChIKey is NLMVVFCPMDRBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-2-9-17(14,15)13-10-3-5-11(6-4-10)16-8-7-12/h3-6,13H,2,8-9H2,1H3.
What are the key properties of N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide?
N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide has a molecular weight of 254.31 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 43242609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).