3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide

C24H17Cl2NO5S2 — CID 25048378

IUPAC3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C24H17Cl2NO5S2/c25-23-14-13-21(16-24(23)26)33(28,29)20-7-4-8-22(15-20)34(30,31)27-17-9-11-19(12-10-17)32-18-5-2-1-3-6-18/h1-16,27H
InChIKeyQVFSRWDMVCFNKW-UHFFFAOYSA-N
MW534.44 g/mol
LogP6.42
Rot. Bonds7

About 3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide

3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide (PubChem CID 25048378) has the molecular formula C24H17Cl2NO5S2 and a molecular weight of 534.44 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide
PubChem CID25048378
Molecular FormulaC24H17Cl2NO5S2
Molecular Weight534.44 g/mol
Exact Mass532.99
IUPAC Name3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C24H17Cl2NO5S2/c25-23-14-13-21(16-24(23)26)33(28,29)20-7-4-8-22(15-20)34(30,31)27-17-9-11-19(12-10-17)32-18-5-2-1-3-6-18/h1-16,27H
InChIKeyQVFSRWDMVCFNKW-UHFFFAOYSA-N
XLogP6.42
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.44
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578
3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide
CID 1101032
3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide
CID 134089881
N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
CID 43885647
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide
CID 71590941
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
2-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 113098760
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
N-[4-[4-(methylamino)phenoxy]phenyl]-3-methylsulfonylbenzenesulfonamide
CID 59994937
N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3858982
3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
CID 47088040

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide (CID 25048378) is 3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide?
The InChIKey is QVFSRWDMVCFNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2NO5S2/c25-23-14-13-21(16-24(23)26)33(28,29)20-7-4-8-22(15-20)34(30,31)27-17-9-11-19(12-10-17)32-18-5-2-1-3-6-18/h1-16,27H.
What are the key properties of 3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide?
3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide has a molecular weight of 534.44 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 25048378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).