4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide

C15H16N2O2S2 — CID 106430208

IUPAC4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide
SMILESC#CCSCCNS(=O)(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C15H16N2O2S2/c1-2-10-20-11-9-17-21(18,19)15-8-7-14(16)12-5-3-4-6-13(12)15/h1,3-8,17H,9-11,16H2
InChIKeyWRZQWLWGJFHAFJ-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.07
Rot. Bonds6

About 4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide

4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide (PubChem CID 106430208) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide
PubChem CID106430208
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide
SMILESC#CCSCCNS(=O)(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C15H16N2O2S2/c1-2-10-20-11-9-17-21(18,19)15-8-7-14(16)12-5-3-4-6-13(12)15/h1,3-8,17H,9-11,16H2
InChIKeyWRZQWLWGJFHAFJ-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-ethyl-N-(2-prop-2-ynylsulfanylethyl)benzenesulfonamide
CID 106425673
4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide
CID 67954921
2,5-dibromo-N-(2-prop-2-ynylsulfanylethyl)benzenesulfonamide
CID 113240049
4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
CID 112594590
2-chloro-4-cyano-N-(2-prop-2-ynylsulfanylethyl)benzenesulfonamide
CID 103989505
2-N-(2-prop-2-ynylsulfanylethyl)benzene-1,2-diamine
CID 106426214
3-bromo-4-(2-prop-2-ynylsulfanylethylsulfamoyl)benzoic acid
CID 106426972
3-methoxy-4-(2-prop-2-ynylsulfanylethylsulfamoyl)benzoic acid
CID 106426922
4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide
CID 104762860
2-fluoro-5-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)benzenesulfonamide
CID 106427308
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide
CID 3513225
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide (CID 106430208) is 4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide is C#CCSCCNS(=O)(=O)c1ccc(N)c2ccccc12.
What is the InChIKey of 4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide?
The InChIKey is WRZQWLWGJFHAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-2-10-20-11-9-17-21(18,19)15-8-7-14(16)12-5-3-4-6-13(12)15/h1,3-8,17H,9-11,16H2.
What are the key properties of 4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide?
4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide has a molecular weight of 320.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 106430208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).