N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide

C14H17NO3S2 — CID 115684173

IUPACN-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
SMILESCCS(=O)CCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H17NO3S2/c1-2-19(16)11-10-15-20(17,18)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,2,10-11H2,1H3
InChIKeyMCRXYZOIFFXIAX-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.89
Rot. Bonds6

About N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide

N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide (PubChem CID 115684173) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
PubChem CID115684173
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC NameN-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
SMILESCCS(=O)CCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H17NO3S2/c1-2-19(16)11-10-15-20(17,18)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,2,10-11H2,1H3
InChIKeyMCRXYZOIFFXIAX-UHFFFAOYSA-N
XLogP1.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide
CID 170551201
N-(3-chloropentyl)naphthalene-1-sulfonamide
CID 114795706
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide
CID 114795468
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216
2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 106546033

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide (CID 115684173) is N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide is CCS(=O)CCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide?
The InChIKey is MCRXYZOIFFXIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-2-19(16)11-10-15-20(17,18)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,2,10-11H2,1H3.
What are the key properties of N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide?
N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 115684173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).