N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide

C24H26FNO4S — CID 93147752

IUPACN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(OC)c([C@@H](C)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2C)c1
InChIInChI=1S/C24H26FNO4S/c1-16-6-9-20(10-7-16)26(31(27,28)24-13-8-19(25)14-17(24)2)18(3)22-15-21(29-4)11-12-23(22)30-5/h6-15,18H,1-5H3/t18-/m1/s1
InChIKeyCLVPAZFLQFBTTQ-GOSISDBHSA-N
MW443.54 g/mol
LogP5.42
Rot. Bonds7

About N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 93147752) has the molecular formula C24H26FNO4S and a molecular weight of 443.54 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID93147752
Molecular FormulaC24H26FNO4S
Molecular Weight443.54 g/mol
Exact Mass443.16
IUPAC NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(OC)c([C@@H](C)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2C)c1
InChIInChI=1S/C24H26FNO4S/c1-16-6-9-20(10-7-16)26(31(27,28)24-13-8-19(25)14-17(24)2)18(3)22-15-21(29-4)11-12-23(22)30-5/h6-15,18H,1-5H3/t18-/m1/s1
InChIKeyCLVPAZFLQFBTTQ-GOSISDBHSA-N
XLogP5.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 93207596
5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 42842005
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 42842037
4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 93207154
N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 93207406
4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 93207194
3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023164
N-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 67283394
N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 46022772
N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 42841669
3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93207564
N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 46023211

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide (CID 93147752) is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide is COc1ccc(OC)c([C@@H](C)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2C)c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is CLVPAZFLQFBTTQ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26FNO4S/c1-16-6-9-20(10-7-16)26(31(27,28)24-13-8-19(25)14-17(24)2)18(3)22-15-21(29-4)11-12-23(22)30-5/h6-15,18H,1-5H3/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide?
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 443.54 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 93147752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).