N,N-dimethyl-3-methylsulfanylbenzenesulfonamide

C9H13NO2S2 — CID 149258348

IUPACN,N-dimethyl-3-methylsulfanylbenzenesulfonamide
SMILESCSc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C9H13NO2S2/c1-10(2)14(11,12)9-6-4-5-8(7-9)13-3/h4-7H,1-3H3
InChIKeyXOTKNCLMCPOSKD-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.66
Rot. Bonds3

About N,N-dimethyl-3-methylsulfanylbenzenesulfonamide

N,N-dimethyl-3-methylsulfanylbenzenesulfonamide (PubChem CID 149258348) has the molecular formula C9H13NO2S2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N,N-dimethyl-3-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-methylsulfanylbenzenesulfonamide
PubChem CID149258348
Molecular FormulaC9H13NO2S2
Molecular Weight231.34 g/mol
Exact Mass231.04
IUPAC NameN,N-dimethyl-3-methylsulfanylbenzenesulfonamide
SMILESCSc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C9H13NO2S2/c1-10(2)14(11,12)9-6-4-5-8(7-9)13-3/h4-7H,1-3H3
InChIKeyXOTKNCLMCPOSKD-UHFFFAOYSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethylazulene-5-sulfonamide
CID 67469153
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
CID 71291795
CID 71291795
N,N-dimethyl-3-nitrosobenzenesulfonamide
CID 146930978
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
3-ethynyl-N,N-dimethylbenzenesulfonamide
CID 129210848
1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide
CID 89277792
N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide
CID 58265706
[3-(dimethylsulfamoyl)phenyl]-methylborinic acid;ethane
CID 144646881
3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide
CID 13203487
3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59836579

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-methylsulfanylbenzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-methylsulfanylbenzenesulfonamide (CID 149258348) is N,N-dimethyl-3-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-methylsulfanylbenzenesulfonamide is CSc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-methylsulfanylbenzenesulfonamide?
The InChIKey is XOTKNCLMCPOSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S2/c1-10(2)14(11,12)9-6-4-5-8(7-9)13-3/h4-7H,1-3H3.
What are the key properties of N,N-dimethyl-3-methylsulfanylbenzenesulfonamide?
N,N-dimethyl-3-methylsulfanylbenzenesulfonamide has a molecular weight of 231.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 149258348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).