5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide

C23H23ClFNO5S — CID 42842005

IUPAC5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(C(C)c2cc(OC)ccc2OC)S(=O)(=O)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C23H23ClFNO5S/c1-15(20-14-19(30-3)10-12-22(20)31-4)26(17-6-8-18(29-2)9-7-17)32(27,28)23-13-16(24)5-11-21(23)25/h5-15H,1-4H3
InChIKeyUQZYHILDWFXFNX-UHFFFAOYSA-N
MW479.96 g/mol
LogP5.46
Rot. Bonds8

About 5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide

5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 42842005) has the molecular formula C23H23ClFNO5S and a molecular weight of 479.96 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID42842005
Molecular FormulaC23H23ClFNO5S
Molecular Weight479.96 g/mol
Exact Mass479.10
IUPAC Name5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(C(C)c2cc(OC)ccc2OC)S(=O)(=O)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C23H23ClFNO5S/c1-15(20-14-19(30-3)10-12-22(20)31-4)26(17-6-8-18(29-2)9-7-17)32(27,28)23-13-16(24)5-11-21(23)25/h5-15H,1-4H3
InChIKeyUQZYHILDWFXFNX-UHFFFAOYSA-N
XLogP5.46
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.96
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 93207406
4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 93207154
5-chloro-2-fluoro-N-(4-methoxyphenyl)-N-(1-phenylethyl)benzenesulfonamide
CID 46023144
5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 46023207
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 93147752
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 93207596
N-(1,3-benzodioxol-5-yl)-5-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzenesulfonamide
CID 42841994
3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 42842026
3-chloro-4-fluoro-N-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207679
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 42841650
N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide
CID 42841820
2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 93207276

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide (CID 42842005) is 5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(C(C)c2cc(OC)ccc2OC)S(=O)(=O)c2cc(Cl)ccc2F)cc1.
What is the InChIKey of 5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is UQZYHILDWFXFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFNO5S/c1-15(20-14-19(30-3)10-12-22(20)31-4)26(17-6-8-18(29-2)9-7-17)32(27,28)23-13-16(24)5-11-21(23)25/h5-15H,1-4H3.
What are the key properties of 5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide?
5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 479.96 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 42842005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).