N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide

C15H17FN2O2S — CID 61413510

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H17FN2O2S/c1-17-14-7-9-15(10-8-14)21(19,20)18(2)11-12-3-5-13(16)6-4-12/h3-10,17H,11H2,1-2H3
InChIKeyRWGLQLVEYCCPMX-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.69
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide

N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide (PubChem CID 61413510) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide
PubChem CID61413510
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H17FN2O2S/c1-17-14-7-9-15(10-8-14)21(19,20)18(2)11-12-3-5-13(16)6-4-12/h3-10,17H,11H2,1-2H3
InChIKeyRWGLQLVEYCCPMX-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237408
4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26027770
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528516
N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55024925
4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
CID 115212690
N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 4794072
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 47103945
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944
N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 139950958
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534668
N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride
CID 86775481

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide (CID 61413510) is N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide is CNc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide?
The InChIKey is RWGLQLVEYCCPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-17-14-7-9-15(10-8-14)21(19,20)18(2)11-12-3-5-13(16)6-4-12/h3-10,17H,11H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide?
N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 61413510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).