N-benzyl-N-methyl-4-methylsulfanylbenzenesulfonamide

C15H17NO2S2 — CID 967344

IUPACN-benzyl-N-methyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C15H17NO2S2/c1-16(12-13-6-4-3-5-7-13)20(17,18)15-10-8-14(19-2)9-11-15/h3-11H,12H2,1-2H3
InChIKeyKKZBKUSWQWWHBS-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.23
Rot. Bonds5

About N-benzyl-N-methyl-4-methylsulfanylbenzenesulfonamide

N-benzyl-N-methyl-4-methylsulfanylbenzenesulfonamide (PubChem CID 967344) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-methylsulfanylbenzenesulfonamide
PubChem CID967344
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC NameN-benzyl-N-methyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C15H17NO2S2/c1-16(12-13-6-4-3-5-7-13)20(17,18)15-10-8-14(19-2)9-11-15/h3-11H,12H2,1-2H3
InChIKeyKKZBKUSWQWWHBS-UHFFFAOYSA-N
XLogP3.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-4-fluorobenzenesulfonamide
CID 668993
Phenyl-N,N-bis(tosylmethyl)methanamine
CID 3787955
4-[2-[(4-Methylsulfanylphenyl)methylamino]ethyl]benzenesulfonamide
CID 4719675
N-Benzyl-N-isopropyl-4-methyl-benzenesulfonamide
CID 668963
4-Benzenesulfonyl-1-benzyl-piperidine
CID 11120635
N,N-dimethyl(2-(4-(methylthio)phenylthio)phenyl)methanamine
CID 24103136
N-benzyl-N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)benzenesulfonamide
CID 76282979
N-benzyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 779504
N-(2-methylbenzyl)-4-(methylsulfanyl)benzenesulfonamide
CID 789722
N-(4-methylbenzyl)-4-(methylthio)benzenesulfonamide
CID 1251487
N-benzyl-N-methylthiophene-2-sulfonamide
CID 3157268
3-((Dimethylamino)methyl)-4-(4-(trifluoromethyl)phenylthio)benzenesulfonamide
CID 44568322

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-methyl-4-methylsulfanylbenzenesulfonamide (CID 967344) is N-benzyl-N-methyl-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-methyl-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-methyl-4-methylsulfanylbenzenesulfonamide?
The InChIKey is KKZBKUSWQWWHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-16(12-13-6-4-3-5-7-13)20(17,18)15-10-8-14(19-2)9-11-15/h3-11H,12H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-4-methylsulfanylbenzenesulfonamide?
N-benzyl-N-methyl-4-methylsulfanylbenzenesulfonamide has a molecular weight of 307.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 967344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).