4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide

C22H21Cl2NO4S — CID 93207154

IUPAC4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c([C@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H21Cl2NO4S/c1-15(21-14-19(28-2)10-13-22(21)29-3)25(18-8-4-16(23)5-9-18)30(26,27)20-11-6-17(24)7-12-20/h4-15H,1-3H3/t15-/m0/s1
InChIKeyYEMNZSWKLKLJIX-HNNXBMFYSA-N
MW466.39 g/mol
LogP5.97
Rot. Bonds7

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

4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 93207154) has the molecular formula C22H21Cl2NO4S and a molecular weight of 466.39 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
PubChem CID93207154
Molecular FormulaC22H21Cl2NO4S
Molecular Weight466.39 g/mol
Exact Mass465.06
IUPAC Name4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c([C@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H21Cl2NO4S/c1-15(21-14-19(28-2)10-13-22(21)29-3)25(18-8-4-16(23)5-9-18)30(26,27)20-11-6-17(24)7-12-20/h4-15H,1-3H3/t15-/m0/s1
InChIKeyYEMNZSWKLKLJIX-HNNXBMFYSA-N
XLogP5.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.39
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 93207406
5-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 42842005
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 93207596
4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207230
N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93207234
N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide
CID 93207637
N-(3,4-dimethoxyphenyl)-4-methoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207440
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
2-(N-(4-chlorophenyl)sulfonyl-2,4-dimethoxyanilino)propanoic acid
CID 50895135
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 93147752
4-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 93207173

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide (CID 93207154) is 4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide is COc1ccc(OC)c([C@H](C)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is YEMNZSWKLKLJIX-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21Cl2NO4S/c1-15(21-14-19(28-2)10-13-22(21)29-3)25(18-8-4-16(23)5-9-18)30(26,27)20-11-6-17(24)7-12-20/h4-15H,1-3H3/t15-/m0/s1.
What are the key properties of 4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide?
4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 466.39 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 93207154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).