N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide

C13H15NO3S2 — CID 97001306

IUPACN-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
SMILESC[S@@](=O)CCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C13H15NO3S2/c1-18(15)10-9-14-19(16,17)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9-10H2,1H3/t18-/m1/s1
InChIKeyYGZSEYXXOTYZSF-GOSISDBHSA-N
MW297.40 g/mol
LogP1.50
Rot. Bonds5

About N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide

N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide (PubChem CID 97001306) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
PubChem CID97001306
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
SMILESC[S@@](=O)CCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C13H15NO3S2/c1-18(15)10-9-14-19(16,17)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9-10H2,1H3/t18-/m1/s1
InChIKeyYGZSEYXXOTYZSF-GOSISDBHSA-N
XLogP1.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
CID 115684173
2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115671966
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide
CID 170551201
N-(3-chloropentyl)naphthalene-1-sulfonamide
CID 114795706
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300

Frequently Asked Questions

What is the IUPAC name of N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide (CID 97001306) is N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide is C[S@@](=O)CCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide?
The InChIKey is YGZSEYXXOTYZSF-GOSISDBHSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-18(15)10-9-14-19(16,17)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9-10H2,1H3/t18-/m1/s1.
What are the key properties of N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide?
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 97001306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).