N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide

C18H23NO2S2 — CID 35064015

IUPACN,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide
SMILESCC(C)c1ccc(SCc2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C18H23NO2S2/c1-14(2)16-8-10-17(11-9-16)22-13-15-6-5-7-18(12-15)23(20,21)19(3)4/h5-12,14H,13H2,1-4H3
InChIKeyZOAMLQMOUWWWRH-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.35
Rot. Bonds6

About N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide

N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide (PubChem CID 35064015) has the molecular formula C18H23NO2S2 and a molecular weight of 349.52 g/mol. Its IUPAC name is N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide
PubChem CID35064015
Molecular FormulaC18H23NO2S2
Molecular Weight349.52 g/mol
Exact Mass349.12
IUPAC NameN,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide
SMILESCC(C)c1ccc(SCc2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C18H23NO2S2/c1-14(2)16-8-10-17(11-9-16)22-13-15-6-5-7-18(12-15)23(20,21)19(3)4/h5-12,14H,13H2,1-4H3
InChIKeyZOAMLQMOUWWWRH-UHFFFAOYSA-N
XLogP4.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide
CID 43299578
N,N-dimethyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzenesulfonamide
CID 17397873
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide
CID 56807991
(2S)-N-benzyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methylpropanamide
CID 94038343
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide
CID 43000872
3-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethylbenzenesulfonamide
CID 30030168
3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59836579
N,N-dimethyl-3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenesulfonamide
CID 112778223
N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
CID 56811597
3-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethylbenzenesulfonamide
CID 78763342
3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114280117

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide (CID 35064015) is N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide is CC(C)c1ccc(SCc2cccc(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide?
The InChIKey is ZOAMLQMOUWWWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S2/c1-14(2)16-8-10-17(11-9-16)22-13-15-6-5-7-18(12-15)23(20,21)19(3)4/h5-12,14H,13H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide?
N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide has a molecular weight of 349.52 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide is sourced from PubChem (CID 35064015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).