N,N-bis(cyanomethyl)naphthalene-1-sulfonamide

C14H11N3O2S — CID 115684138

IUPACN,N-bis(cyanomethyl)naphthalene-1-sulfonamide
SMILESN#CCN(CC#N)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H11N3O2S/c15-8-10-17(11-9-16)20(18,19)14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,10-11H2
InChIKeyDOCXAYALZFITEE-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.88
Rot. Bonds4

About N,N-bis(cyanomethyl)naphthalene-1-sulfonamide

N,N-bis(cyanomethyl)naphthalene-1-sulfonamide (PubChem CID 115684138) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)naphthalene-1-sulfonamide
PubChem CID115684138
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN,N-bis(cyanomethyl)naphthalene-1-sulfonamide
SMILESN#CCN(CC#N)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H11N3O2S/c15-8-10-17(11-9-16)20(18,19)14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,10-11H2
InChIKeyDOCXAYALZFITEE-UHFFFAOYSA-N
XLogP1.88
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide
CID 4986710
N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide
CID 115684154
2-[bis(cyanomethyl)sulfamoyl]benzoic acid
CID 18071736
N-(cyanomethyl)-N-ethyl-2-methylsulfonylbenzenesulfonamide
CID 86861078
3-[bis(cyanomethyl)sulfamoyl]-2-methylbenzoic acid
CID 63742974
N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
CID 21131549
N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide
CID 114795839
N-butyl-N-(2-chloroethyl)naphthalene-1-sulfonamide
CID 114795610
N-propan-2-ylnaphthalene-1-sulfonohydrazide
CID 141255188
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
CID 107493804
2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
CID 114533570

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)naphthalene-1-sulfonamide?
The IUPAC name of N,N-bis(cyanomethyl)naphthalene-1-sulfonamide (CID 115684138) is N,N-bis(cyanomethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N,N-bis(cyanomethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N,N-bis(cyanomethyl)naphthalene-1-sulfonamide is N#CCN(CC#N)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N,N-bis(cyanomethyl)naphthalene-1-sulfonamide?
The InChIKey is DOCXAYALZFITEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c15-8-10-17(11-9-16)20(18,19)14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,10-11H2.
What are the key properties of N,N-bis(cyanomethyl)naphthalene-1-sulfonamide?
N,N-bis(cyanomethyl)naphthalene-1-sulfonamide has a molecular weight of 285.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 115684138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).