[5-chloro-2-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyridin-4-ylmethanone

C19H13Cl2NO3S — CID 58051611

IUPAC[5-chloro-2-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1cc(Cl)ccc1CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2NO3S/c20-15-3-5-17(6-4-15)26(24,25)12-14-1-2-16(21)11-18(14)19(23)13-7-9-22-10-8-13/h1-11H,12H2
InChIKeyRDNDQVMPXREIRD-UHFFFAOYSA-N
MW406.29 g/mol
LogP4.59
Rot. Bonds5

About [5-chloro-2-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyridin-4-ylmethanone

[5-chloro-2-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyridin-4-ylmethanone (PubChem CID 58051611) has the molecular formula C19H13Cl2NO3S and a molecular weight of 406.29 g/mol. Its IUPAC name is [5-chloro-2-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-2-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyridin-4-ylmethanone
PubChem CID58051611
Molecular FormulaC19H13Cl2NO3S
Molecular Weight406.29 g/mol
Exact Mass405.00
IUPAC Name[5-chloro-2-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1cc(Cl)ccc1CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2NO3S/c20-15-3-5-17(6-4-15)26(24,25)12-14-1-2-16(21)11-18(14)19(23)13-7-9-22-10-8-13/h1-11H,12H2
InChIKeyRDNDQVMPXREIRD-UHFFFAOYSA-N
XLogP4.59
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]phenyl]-phenylmethanone
CID 58477560
[2-[(4-tert-butylphenyl)sulfonylmethyl]-5-chlorophenyl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 58119029
[2-[(4-tert-butylphenyl)sulfonylmethyl]-5-chlorophenyl]-(6-methylsulfonyl-3-pyridinyl)methanone
CID 58051696
4-[(4-chloro-2-fluorophenyl)methylsulfonyl]benzoic acid
CID 114849298
sodium 4-(2,5-dichlorobenzoyl)benzenesulfonate
CID 58782438
2-[4-[[4-chloro-2-(pyridine-4-carbonyl)phenyl]sulfamoyl]phenyl]-N,N,2-trimethylpropanamide
CID 20827654
4-bromo-1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene
CID 604533
2-(2,4-dichlorophenyl)-1-[2-[(4-nitrophenyl)sulfonylmethyl]phenyl]ethanone
CID 158200674
1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one
CID 118237523
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10386667
1-[2-[(4-bromophenyl)sulfonylmethyl]phenyl]-3-(2,4-dichlorophenyl)propan-2-one
CID 158315475
(2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone
CID 59370934

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyridin-4-ylmethanone?
The IUPAC name of [5-chloro-2-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyridin-4-ylmethanone (CID 58051611) is [5-chloro-2-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyridin-4-ylmethanone.
What is the SMILES notation for [5-chloro-2-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyridin-4-ylmethanone?
The canonical SMILES for [5-chloro-2-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyridin-4-ylmethanone is O=C(c1ccncc1)c1cc(Cl)ccc1CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [5-chloro-2-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyridin-4-ylmethanone?
The InChIKey is RDNDQVMPXREIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO3S/c20-15-3-5-17(6-4-15)26(24,25)12-14-1-2-16(21)11-18(14)19(23)13-7-9-22-10-8-13/h1-11H,12H2.
What are the key properties of [5-chloro-2-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyridin-4-ylmethanone?
[5-chloro-2-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyridin-4-ylmethanone has a molecular weight of 406.29 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyridin-4-ylmethanone is sourced from PubChem (CID 58051611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).