N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide

C22H22FNO3S — CID 93207337

IUPACN-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2cccc(F)c2)[C@@H](C)c2ccccc2C)cc1
InChIInChI=1S/C22H22FNO3S/c1-16-7-4-5-10-22(16)17(2)24(19-9-6-8-18(23)15-19)28(25,26)21-13-11-20(27-3)12-14-21/h4-15,17H,1-3H3/t17-/m0/s1
InChIKeyPWIKZJDJRGYMQT-KRWDZBQOSA-N
MW399.49 g/mol
LogP5.10
Rot. Bonds6

About N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide

N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 93207337) has the molecular formula C22H22FNO3S and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID93207337
Molecular FormulaC22H22FNO3S
Molecular Weight399.49 g/mol
Exact Mass399.13
IUPAC NameN-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2cccc(F)c2)[C@@H](C)c2ccccc2C)cc1
InChIInChI=1S/C22H22FNO3S/c1-16-7-4-5-10-22(16)17(2)24(19-9-6-8-18(23)15-19)28(25,26)21-13-11-20(27-3)12-14-21/h4-15,17H,1-3H3/t17-/m0/s1
InChIKeyPWIKZJDJRGYMQT-KRWDZBQOSA-N
XLogP5.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 46022772
N-(3-methoxyphenyl)-4-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 46021631
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 42841650
N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207265
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 42842037
4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023164
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-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654
N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 93207182
4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022049

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide (CID 93207337) is N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(c2cccc(F)c2)[C@@H](C)c2ccccc2C)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is PWIKZJDJRGYMQT-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H22FNO3S/c1-16-7-4-5-10-22(16)17(2)24(19-9-6-8-18(23)15-19)28(25,26)21-13-11-20(27-3)12-14-21/h4-15,17H,1-3H3/t17-/m0/s1.
What are the key properties of N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide?
N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 399.49 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 93207337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).