N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide

C15H16FNO2S2 — CID 49237408

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FNO2S2/c1-17(11-12-3-5-13(16)6-4-12)21(18,19)15-9-7-14(20-2)8-10-15/h3-10H,11H2,1-2H3
InChIKeyPVZXUWQREJPOON-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.37
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide

N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide (PubChem CID 49237408) has the molecular formula C15H16FNO2S2 and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide
PubChem CID49237408
Molecular FormulaC15H16FNO2S2
Molecular Weight325.43 g/mol
Exact Mass325.06
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FNO2S2/c1-17(11-12-3-5-13(16)6-4-12)21(18,19)15-9-7-14(20-2)8-10-15/h3-10H,11H2,1-2H3
InChIKeyPVZXUWQREJPOON-UHFFFAOYSA-N
XLogP3.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26027770
N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide
CID 61413510
N-(4-fluorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189224
3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide
CID 9188620
N-[(4-fluorophenyl)methyl]-4-methylsulfanyl-N-(4-methylsulfonylphenyl)aniline
CID 21036352
N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 4794072
(3S)-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188617
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 47103945
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 31534344
N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237525

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide (CID 49237408) is N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide?
The InChIKey is PVZXUWQREJPOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S2/c1-17(11-12-3-5-13(16)6-4-12)21(18,19)15-9-7-14(20-2)8-10-15/h3-10H,11H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide?
N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 49237408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).