N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide

C19H18ClNO2S2 — CID 3886966

IUPACN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCSCc1ccc(Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H18ClNO2S2/c20-18-8-5-15(6-9-18)14-24-12-11-21-25(22,23)19-10-7-16-3-1-2-4-17(16)13-19/h1-10,13,21H,11-12,14H2
InChIKeyZDXRAWSBEAEKPG-UHFFFAOYSA-N
MW391.95 g/mol
LogP4.70
Rot. Bonds7

About N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide

N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide (PubChem CID 3886966) has the molecular formula C19H18ClNO2S2 and a molecular weight of 391.95 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide
PubChem CID3886966
Molecular FormulaC19H18ClNO2S2
Molecular Weight391.95 g/mol
Exact Mass391.05
IUPAC NameN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCSCc1ccc(Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H18ClNO2S2/c20-18-8-5-15(6-9-18)14-24-12-11-21-25(22,23)19-10-7-16-3-1-2-4-17(16)13-19/h1-10,13,21H,11-12,14H2
InChIKeyZDXRAWSBEAEKPG-UHFFFAOYSA-N
XLogP4.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 54.70
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-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26594048
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-fluorobenzenesulfonamide
CID 3291034
4-bromo-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 2274954
3-[(4-chlorophenyl)methyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100751988
N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
CID 49459732
N-(2-benzylsulfanylethyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100717919
3-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-fluorobenzenesulfonamide
CID 8813776
sodium 2-[4-[2-(benzenesulfonamido)ethylsulfanylmethyl]phenoxy]acetate
CID 23671202
CID 68510403
CID 68510403
2-(4-chlorophenyl)sulfonylnaphthalene
CID 2506576

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide (CID 3886966) is N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide is O=S(=O)(NCCSCc1ccc(Cl)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide?
The InChIKey is ZDXRAWSBEAEKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2S2/c20-18-8-5-15(6-9-18)14-24-12-11-21-25(22,23)19-10-7-16-3-1-2-4-17(16)13-19/h1-10,13,21H,11-12,14H2.
What are the key properties of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide?
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide has a molecular weight of 391.95 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 3886966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).