4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide

C21H20FNO2S — CID 100691319

IUPAC4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
SMILESCc1ccc([C@H](NS(=O)(=O)c2ccc(F)cc2C)c2ccccc2)cc1
InChIInChI=1S/C21H20FNO2S/c1-15-8-10-18(11-9-15)21(17-6-4-3-5-7-17)23-26(24,25)20-13-12-19(22)14-16(20)2/h3-14,21,23H,1-2H3/t21-/m1/s1
InChIKeyBJJMIRZENFBRRZ-OAQYLSRUSA-N
MW369.46 g/mol
LogP4.51
Rot. Bonds5

About 4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide

4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide (PubChem CID 100691319) has the molecular formula C21H20FNO2S and a molecular weight of 369.46 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
PubChem CID100691319
Molecular FormulaC21H20FNO2S
Molecular Weight369.46 g/mol
Exact Mass369.12
IUPAC Name4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
SMILESCc1ccc([C@H](NS(=O)(=O)c2ccc(F)cc2C)c2ccccc2)cc1
InChIInChI=1S/C21H20FNO2S/c1-15-8-10-18(11-9-15)21(17-6-4-3-5-7-17)23-26(24,25)20-13-12-19(22)14-16(20)2/h3-14,21,23H,1-2H3/t21-/m1/s1
InChIKeyBJJMIRZENFBRRZ-OAQYLSRUSA-N
XLogP4.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-2,4-dimethylbenzenesulfonamide
CID 19681706
2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 94015794
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
N-benzhydryl-3-fluorobenzenesulfonamide
CID 3697866
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
2-methyl-N-[(S)-(4-methylphenyl)-phenylmethyl]-5-nitrobenzenesulfonamide
CID 92679163
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide
CID 26528903
2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61126468
N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide
CID 102281478
methyl 2-methyl-5-[[(R)-(4-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100570774
4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 134952770

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide (CID 100691319) is 4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide is Cc1ccc([C@H](NS(=O)(=O)c2ccc(F)cc2C)c2ccccc2)cc1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide?
The InChIKey is BJJMIRZENFBRRZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20FNO2S/c1-15-8-10-18(11-9-15)21(17-6-4-3-5-7-17)23-26(24,25)20-13-12-19(22)14-16(20)2/h3-14,21,23H,1-2H3/t21-/m1/s1.
What are the key properties of 4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide has a molecular weight of 369.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide is sourced from PubChem (CID 100691319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).