N,3,5-trimethylbenzenesulfonamide

C9H13NO2S — CID 58422303

IUPACN,3,5-trimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C9H13NO2S/c1-7-4-8(2)6-9(5-7)13(11,12)10-3/h4-6,10H,1-3H3
InChIKeyDGOKPCFPTSBYRH-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.21
Rot. Bonds2

About N,3,5-trimethylbenzenesulfonamide

N,3,5-trimethylbenzenesulfonamide (PubChem CID 58422303) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is N,3,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN,3,5-trimethylbenzenesulfonamide
PubChem CID58422303
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC NameN,3,5-trimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C9H13NO2S/c1-7-4-8(2)6-9(5-7)13(11,12)10-3/h4-6,10H,1-3H3
InChIKeyDGOKPCFPTSBYRH-UHFFFAOYSA-N
XLogP1.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-(methylsulfamoyl)benzoic acid
CID 165450547
N,3-dimethylbenzenesulfonamide;ethane
CID 143402177
4-fluoro-N,3,5-trimethylbenzenesulfonamide
CID 130161057
3,5-dichloro-N,4-dimethylbenzenesulfonamide
CID 142363303
N,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide
CID 28917114
3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111370
2,3-dimethyl-5-(methylsulfamoyl)benzamide
CID 155439056
3,5-dimethylbenzenesulfonyl fluoride
CID 86062029
2,3-difluoro-5-(methylsulfamoyl)benzoic acid
CID 68839247
3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 43256286
N-(3-aminopropyl)-3,5-dimethylbenzenesulfonamide
CID 60777976
N,2-dimethylpyrimidine-5-sulfonamide
CID 130948859

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethylbenzenesulfonamide?
The IUPAC name of N,3,5-trimethylbenzenesulfonamide (CID 58422303) is N,3,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N,3,5-trimethylbenzenesulfonamide?
The canonical SMILES for N,3,5-trimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N,3,5-trimethylbenzenesulfonamide?
The InChIKey is DGOKPCFPTSBYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7-4-8(2)6-9(5-7)13(11,12)10-3/h4-6,10H,1-3H3.
What are the key properties of N,3,5-trimethylbenzenesulfonamide?
N,3,5-trimethylbenzenesulfonamide has a molecular weight of 199.27 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 58422303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).