6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide

C16H19ClN2O2S2 — CID 40663670

IUPAC6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SCc2ccccc2Cl)nc1
InChIInChI=1S/C16H19ClN2O2S2/c1-3-19(4-2)23(20,21)14-9-10-16(18-11-14)22-12-13-7-5-6-8-15(13)17/h5-11H,3-4,12H2,1-2H3
InChIKeyLIDFWTNYDKFUPE-UHFFFAOYSA-N
MW370.93 g/mol
LogP4.06
Rot. Bonds7

About 6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide

6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide (PubChem CID 40663670) has the molecular formula C16H19ClN2O2S2 and a molecular weight of 370.93 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
PubChem CID40663670
Molecular FormulaC16H19ClN2O2S2
Molecular Weight370.93 g/mol
Exact Mass370.06
IUPAC Name6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SCc2ccccc2Cl)nc1
InChIInChI=1S/C16H19ClN2O2S2/c1-3-19(4-2)23(20,21)14-9-10-16(18-11-14)22-12-13-7-5-6-8-15(13)17/h5-11H,3-4,12H2,1-2H3
InChIKeyLIDFWTNYDKFUPE-UHFFFAOYSA-N
XLogP4.06
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40664186
N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide
CID 40664051
6-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 46814882
N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide
CID 40664198
4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17390596
6-[(4-cyanophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663664
6-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 30028354
N,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide
CID 7759724
N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 30028161
4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide
CID 61112191
2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 24579788
6-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl-N,N-diethylpyridine-3-sulfonamide
CID 55503258

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide (CID 40663670) is 6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(SCc2ccccc2Cl)nc1.
What is the InChIKey of 6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is LIDFWTNYDKFUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S2/c1-3-19(4-2)23(20,21)14-9-10-16(18-11-14)22-12-13-7-5-6-8-15(13)17/h5-11H,3-4,12H2,1-2H3.
What are the key properties of 6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide?
6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 370.93 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 40663670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).