3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide

C22H15Cl2F3N2O2S2 — CID 53250394

IUPAC3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(Cl)c2)c2c(-c3ccc(Cl)c(C(F)(F)F)c3)c(C)sc2n1
InChIInChI=1S/C22H15Cl2F3N2O2S2/c1-11-8-18(29-33(30,31)15-5-3-4-14(23)10-15)20-19(12(2)32-21(20)28-11)13-6-7-17(24)16(9-13)22(25,26)27/h3-10H,1-2H3,(H,28,29)
InChIKeyPZYNYWAZKNORLU-UHFFFAOYSA-N
MW531.41 g/mol
LogP7.71
Rot. Bonds4

About 3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide

3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide (PubChem CID 53250394) has the molecular formula C22H15Cl2F3N2O2S2 and a molecular weight of 531.41 g/mol. Its IUPAC name is 3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
PubChem CID53250394
Molecular FormulaC22H15Cl2F3N2O2S2
Molecular Weight531.41 g/mol
Exact Mass529.99
IUPAC Name3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(Cl)c2)c2c(-c3ccc(Cl)c(C(F)(F)F)c3)c(C)sc2n1
InChIInChI=1S/C22H15Cl2F3N2O2S2/c1-11-8-18(29-33(30,31)15-5-3-4-14(23)10-15)20-19(12(2)32-21(20)28-11)13-6-7-17(24)16(9-13)22(25,26)27/h3-10H,1-2H3,(H,28,29)
InChIKeyPZYNYWAZKNORLU-UHFFFAOYSA-N
XLogP7.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.41
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2,6-dimethyl-3-(1H-pyrrol-3-yl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 53250697
3-chloro-N-[3-[4-chloro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 147080439
3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-propan-2-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 70808888
3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-pyrrolidin-1-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 70808881
3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(1,2-oxazol-4-yl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 70808924
3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 148643253
N-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 53250243
3-chloro-N-[2-[3-(dimethylamino)prop-1-ynyl]-6-methyl-3-(3-methylphenyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 70808907
3-chloro-N-[2-(3-methoxyphenyl)-3,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 53250695
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734194

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide (CID 53250394) is 3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cccc(Cl)c2)c2c(-c3ccc(Cl)c(C(F)(F)F)c3)c(C)sc2n1.
What is the InChIKey of 3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide?
The InChIKey is PZYNYWAZKNORLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F3N2O2S2/c1-11-8-18(29-33(30,31)15-5-3-4-14(23)10-15)20-19(12(2)32-21(20)28-11)13-6-7-17(24)16(9-13)22(25,26)27/h3-10H,1-2H3,(H,28,29).
What are the key properties of 3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide?
3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide has a molecular weight of 531.41 g/mol, XLogP of 7.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide is sourced from PubChem (CID 53250394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).