3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide

C24H21ClN2O3S2 — CID 148643253

IUPAC3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide
SMILESCC(=O)Cc1sc2nc(C)cc(NS(=O)(=O)c3cccc(Cl)c3)c2c1-c1cccc(C)c1
InChIInChI=1S/C24H21ClN2O3S2/c1-14-6-4-7-17(10-14)22-21(12-16(3)28)31-24-23(22)20(11-15(2)26-24)27-32(29,30)19-9-5-8-18(25)13-19/h4-11,13H,12H2,1-3H3,(H,26,27)
InChIKeyNKLKEMCKJJSOCQ-UHFFFAOYSA-N
MW485.03 g/mol
LogP6.17
Rot. Bonds6

About 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide

3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide (PubChem CID 148643253) has the molecular formula C24H21ClN2O3S2 and a molecular weight of 485.03 g/mol. Its IUPAC name is 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide
PubChem CID148643253
Molecular FormulaC24H21ClN2O3S2
Molecular Weight485.03 g/mol
Exact Mass484.07
IUPAC Name3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide
SMILESCC(=O)Cc1sc2nc(C)cc(NS(=O)(=O)c3cccc(Cl)c3)c2c1-c1cccc(C)c1
InChIInChI=1S/C24H21ClN2O3S2/c1-14-6-4-7-17(10-14)22-21(12-16(3)28)31-24-23(22)20(11-15(2)26-24)27-32(29,30)19-9-5-8-18(25)13-19/h4-11,13H,12H2,1-3H3,(H,26,27)
InChIKeyNKLKEMCKJJSOCQ-UHFFFAOYSA-N
XLogP6.17
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.03
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[2-[3-(dimethylamino)prop-1-ynyl]-6-methyl-3-(3-methylphenyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 70808907
3-chloro-N-[2,6-dimethyl-3-(1H-pyrrol-3-yl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 53250697
3-chloro-N-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 53250394
3-chloro-N-[2-(3-methoxyphenyl)-3,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 53250695
N-[2-bromo-6-methyl-3-(3-methylphenyl)thieno[2,3-b]pyridin-4-yl]cyclopropanesulfonamide
CID 70808920
N-[3-(3-methoxyphenyl)-2,6-dimethylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 53250243
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
N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide
CID 91653506
N-(4-chloro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 81433189

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide (CID 148643253) is 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide is CC(=O)Cc1sc2nc(C)cc(NS(=O)(=O)c3cccc(Cl)c3)c2c1-c1cccc(C)c1.
What is the InChIKey of 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide?
The InChIKey is NKLKEMCKJJSOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3S2/c1-14-6-4-7-17(10-14)22-21(12-16(3)28)31-24-23(22)20(11-15(2)26-24)27-32(29,30)19-9-5-8-18(25)13-19/h4-11,13H,12H2,1-3H3,(H,26,27).
What are the key properties of 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide?
3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide has a molecular weight of 485.03 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-(2-oxopropyl)thieno[2,3-b]pyridin-4-yl]benzenesulfonamide is sourced from PubChem (CID 148643253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).