N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide

C20H18FNO2S — CID 35766204

IUPACN-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FNO2S/c1-16-7-13-20(14-8-16)25(23,24)22(15-17-5-3-2-4-6-17)19-11-9-18(21)10-12-19/h2-14H,15H2,1H3
InChIKeyPEYJIBBZRRMUPV-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.53
Rot. Bonds5

About N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide

N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide (PubChem CID 35766204) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
PubChem CID35766204
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC NameN-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FNO2S/c1-16-7-13-20(14-8-16)25(23,24)22(15-17-5-3-2-4-6-17)19-11-9-18(21)10-12-19/h2-14H,15H2,1H3
InChIKeyPEYJIBBZRRMUPV-UHFFFAOYSA-N
XLogP4.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 46014799
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
(2S)-2-[benzyl-[2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-methylpropanamide
CID 100563108
(2S)-2-[benzyl-[2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetyl]amino]-N-propylbutanamide
CID 100539505
4-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]benzoic acid
CID 67529306
N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 42842072
N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 46152473
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3959248
2-[[2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132633935

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide (CID 35766204) is N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is PEYJIBBZRRMUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c1-16-7-13-20(14-8-16)25(23,24)22(15-17-5-3-2-4-6-17)19-11-9-18(21)10-12-19/h2-14H,15H2,1H3.
What are the key properties of N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 355.43 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 35766204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).