5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide

C22H20Cl2FNO4S — CID 46023207

IUPAC5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
SMILESCOc1ccc(N(C(C)c2ccc(Cl)cc2)S(=O)(=O)c2cc(Cl)ccc2F)cc1OC
InChIInChI=1S/C22H20Cl2FNO4S/c1-14(15-4-6-16(23)7-5-15)26(18-9-11-20(29-2)21(13-18)30-3)31(27,28)22-12-17(24)8-10-19(22)25/h4-14H,1-3H3
InChIKeyDKPLPYKFQKHRFS-UHFFFAOYSA-N
MW484.38 g/mol
LogP6.11
Rot. Bonds7

About 5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide

5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide (PubChem CID 46023207) has the molecular formula C22H20Cl2FNO4S and a molecular weight of 484.38 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
PubChem CID46023207
Molecular FormulaC22H20Cl2FNO4S
Molecular Weight484.38 g/mol
Exact Mass483.05
IUPAC Name5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
SMILESCOc1ccc(N(C(C)c2ccc(Cl)cc2)S(=O)(=O)c2cc(Cl)ccc2F)cc1OC
InChIInChI=1S/C22H20Cl2FNO4S/c1-14(15-4-6-16(23)7-5-15)26(18-9-11-20(29-2)21(13-18)30-3)31(27,28)22-12-17(24)8-10-19(22)25/h4-14H,1-3H3
InChIKeyDKPLPYKFQKHRFS-UHFFFAOYSA-N
XLogP6.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.38
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzenesulfonamide
CID 42841994
5-chloro-2-fluoro-N-(4-methoxyphenyl)-N-(1-phenylethyl)benzenesulfonamide
CID 46023144
5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 42842005
N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide
CID 93207637
N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 46022076
5-chloro-N-(3-fluoro-4-methoxyphenyl)-2-(methylsulfonylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 154806654
3-chloro-4-fluoro-N-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207679
5-chloro-N-(4-chlorophenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 3517707
N-[(1S)-1-(3-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-4-nitrobenzenesulfonamide
CID 93207474
4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 93207154
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide
CID 31827609
N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 93207406

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide (CID 46023207) is 5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide is COc1ccc(N(C(C)c2ccc(Cl)cc2)S(=O)(=O)c2cc(Cl)ccc2F)cc1OC.
What is the InChIKey of 5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is DKPLPYKFQKHRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2FNO4S/c1-14(15-4-6-16(23)7-5-15)26(18-9-11-20(29-2)21(13-18)30-3)31(27,28)22-12-17(24)8-10-19(22)25/h4-14H,1-3H3.
What are the key properties of 5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide?
5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 484.38 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 46023207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).