4-(naphthalen-1-ylsulfonylamino)butanimidamide

C14H17N3O2S — CID 114795765

IUPAC4-(naphthalen-1-ylsulfonylamino)butanimidamide
SMILES[H]/N=C(\N)CCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H17N3O2S/c15-14(16)9-4-10-17-20(18,19)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,17H,4,9-10H2,(H3,15,16)
InChIKeyFVVVOQHLBOYMCB-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.83
Rot. Bonds6

About 4-(naphthalen-1-ylsulfonylamino)butanimidamide

4-(naphthalen-1-ylsulfonylamino)butanimidamide (PubChem CID 114795765) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(naphthalen-1-ylsulfonylamino)butanimidamide.

Molecular Properties

Compound Name4-(naphthalen-1-ylsulfonylamino)butanimidamide
PubChem CID114795765
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-(naphthalen-1-ylsulfonylamino)butanimidamide
SMILES[H]/N=C(\N)CCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H17N3O2S/c15-14(16)9-4-10-17-20(18,19)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,17H,4,9-10H2,(H3,15,16)
InChIKeyFVVVOQHLBOYMCB-UHFFFAOYSA-N
XLogP1.83
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005
N-(5-chloropentyl)naphthalene-1-sulfonamide
CID 107322709
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide
CID 103858821
3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide
CID 104774314
N-(3-ethenoxypropyl)naphthalene-1-sulfonamide
CID 114795784
2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide
CID 114795769
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylsulfonylamino)butanimidamide?
The IUPAC name of 4-(naphthalen-1-ylsulfonylamino)butanimidamide (CID 114795765) is 4-(naphthalen-1-ylsulfonylamino)butanimidamide.
What is the SMILES notation for 4-(naphthalen-1-ylsulfonylamino)butanimidamide?
The canonical SMILES for 4-(naphthalen-1-ylsulfonylamino)butanimidamide is [H]/N=C(\N)CCCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 4-(naphthalen-1-ylsulfonylamino)butanimidamide?
The InChIKey is FVVVOQHLBOYMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-14(16)9-4-10-17-20(18,19)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,17H,4,9-10H2,(H3,15,16).
What are the key properties of 4-(naphthalen-1-ylsulfonylamino)butanimidamide?
4-(naphthalen-1-ylsulfonylamino)butanimidamide has a molecular weight of 291.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylsulfonylamino)butanimidamide is sourced from PubChem (CID 114795765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).