N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide

C19H17Cl2NO2S2 — CID 3513225

IUPACN-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCSCc1c(Cl)cccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C19H17Cl2NO2S2/c20-17-8-4-9-18(21)16(17)13-25-12-11-22-26(23,24)19-10-3-6-14-5-1-2-7-15(14)19/h1-10,22H,11-13H2
InChIKeyKNNFEURNCFPZDU-UHFFFAOYSA-N
MW426.39 g/mol
LogP5.36
Rot. Bonds7

About N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide

N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide (PubChem CID 3513225) has the molecular formula C19H17Cl2NO2S2 and a molecular weight of 426.39 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide
PubChem CID3513225
Molecular FormulaC19H17Cl2NO2S2
Molecular Weight426.39 g/mol
Exact Mass425.01
IUPAC NameN-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCSCc1c(Cl)cccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C19H17Cl2NO2S2/c20-17-8-4-9-18(21)16(17)13-25-12-11-22-26(23,24)19-10-3-6-14-5-1-2-7-15(14)19/h1-10,22H,11-13H2
InChIKeyKNNFEURNCFPZDU-UHFFFAOYSA-N
XLogP5.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.39
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 126035196
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 2174897
4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 3754145
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3829648
N-(5-chloropentyl)naphthalene-1-sulfonamide
CID 107322709
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
2,5-dichloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 126034786
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide (CID 3513225) is N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide is O=S(=O)(NCCSCc1c(Cl)cccc1Cl)c1cccc2ccccc12.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide?
The InChIKey is KNNFEURNCFPZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO2S2/c20-17-8-4-9-18(21)16(17)13-25-12-11-22-26(23,24)19-10-3-6-14-5-1-2-7-15(14)19/h1-10,22H,11-13H2.
What are the key properties of N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide?
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide has a molecular weight of 426.39 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3513225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).