N-but-3-ynylnaphthalene-1-sulfonamide

C14H13NO2S — CID 115684178

IUPACN-but-3-ynylnaphthalene-1-sulfonamide
SMILESC#CCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H13NO2S/c1-2-3-11-15-18(16,17)14-10-6-8-12-7-4-5-9-13(12)14/h1,4-10,15H,3,11H2
InChIKeyKWRKDEWHTJFFBY-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.14
Rot. Bonds4

About N-but-3-ynylnaphthalene-1-sulfonamide

N-but-3-ynylnaphthalene-1-sulfonamide (PubChem CID 115684178) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-but-3-ynylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-but-3-ynylnaphthalene-1-sulfonamide
PubChem CID115684178
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC NameN-but-3-ynylnaphthalene-1-sulfonamide
SMILESC#CCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H13NO2S/c1-2-3-11-15-18(16,17)14-10-6-8-12-7-4-5-9-13(12)14/h1,4-10,15H,3,11H2
InChIKeyKWRKDEWHTJFFBY-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-ynyl-2-methylquinoline-8-sulfonamide
CID 90537994
N-hex-5-ynylisoquinoline-5-sulfonamide
CID 103756893
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-(5-chloropentyl)naphthalene-1-sulfonamide
CID 107322709
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
CID 115684173
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
N-benzylnaphthalene-1-sulfonamide
CID 3844256

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynylnaphthalene-1-sulfonamide?
The IUPAC name of N-but-3-ynylnaphthalene-1-sulfonamide (CID 115684178) is N-but-3-ynylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-but-3-ynylnaphthalene-1-sulfonamide?
The canonical SMILES for N-but-3-ynylnaphthalene-1-sulfonamide is C#CCCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-but-3-ynylnaphthalene-1-sulfonamide?
The InChIKey is KWRKDEWHTJFFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-2-3-11-15-18(16,17)14-10-6-8-12-7-4-5-9-13(12)14/h1,4-10,15H,3,11H2.
What are the key properties of N-but-3-ynylnaphthalene-1-sulfonamide?
N-but-3-ynylnaphthalene-1-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynylnaphthalene-1-sulfonamide is sourced from PubChem (CID 115684178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).