4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide

C21H20FNO2S — CID 93207092

IUPAC4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide
SMILESCc1cccc([C@@H](C)N(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C21H20FNO2S/c1-16-7-6-8-18(15-16)17(2)23(20-9-4-3-5-10-20)26(24,25)21-13-11-19(22)12-14-21/h3-15,17H,1-2H3/t17-/m1/s1
InChIKeyQVCFHLKIDZMRNV-QGZVFWFLSA-N
MW369.46 g/mol
LogP5.09
Rot. Bonds5

About 4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide

4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide (PubChem CID 93207092) has the molecular formula C21H20FNO2S and a molecular weight of 369.46 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide
PubChem CID93207092
Molecular FormulaC21H20FNO2S
Molecular Weight369.46 g/mol
Exact Mass369.12
IUPAC Name4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide
SMILESCc1cccc([C@@H](C)N(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C21H20FNO2S/c1-16-7-6-8-18(15-16)17(2)23(20-9-4-3-5-10-20)26(24,25)21-13-11-19(22)12-14-21/h3-15,17H,1-2H3/t17-/m1/s1
InChIKeyQVCFHLKIDZMRNV-QGZVFWFLSA-N
XLogP5.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 46022138
4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 93207219
N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 42841653
N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 93207182
N-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide
CID 46022645
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 46014813
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93179197
3-chloro-4-fluoro-N-(3-methoxyphenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]benzenesulfonamide
CID 93207592
4-fluoro-N-phenyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 3741145
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 93207470
4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 93207194
3-chloro-4-fluoro-N-(4-methylphenyl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 93207529

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide (CID 93207092) is 4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide is Cc1cccc([C@@H](C)N(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide?
The InChIKey is QVCFHLKIDZMRNV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20FNO2S/c1-16-7-6-8-18(15-16)17(2)23(20-9-4-3-5-10-20)26(24,25)21-13-11-19(22)12-14-21/h3-15,17H,1-2H3/t17-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide?
4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide has a molecular weight of 369.46 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 93207092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).