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

C24H23ClN2O2S2 — CID 70808888

IUPAC3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-propan-2-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
SMILESCc1cccc(-c2c(C(C)C)sc3nc(C)cc(NS(=O)(=O)c4cccc(Cl)c4)c23)c1
InChIInChI=1S/C24H23ClN2O2S2/c1-14(2)23-21(17-8-5-7-15(3)11-17)22-20(12-16(4)26-24(22)30-23)27-31(28,29)19-10-6-9-18(25)13-19/h5-14H,1-4H3,(H,26,27)
InChIKeyOOAAOBHJHLTSGO-UHFFFAOYSA-N
MW471.05 g/mol
LogP7.16
Rot. Bonds5

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

3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-propan-2-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide (PubChem CID 70808888) has the molecular formula C24H23ClN2O2S2 and a molecular weight of 471.05 g/mol. Its IUPAC name is 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-propan-2-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-propan-2-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
PubChem CID70808888
Molecular FormulaC24H23ClN2O2S2
Molecular Weight471.05 g/mol
Exact Mass470.09
IUPAC Name3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-propan-2-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide
SMILESCc1cccc(-c2c(C(C)C)sc3nc(C)cc(NS(=O)(=O)c4cccc(Cl)c4)c23)c1
InChIInChI=1S/C24H23ClN2O2S2/c1-14(2)23-21(17-8-5-7-15(3)11-17)22-20(12-16(4)26-24(22)30-23)27-31(28,29)19-10-6-9-18(25)13-19/h5-14H,1-4H3,(H,26,27)
InChIKeyOOAAOBHJHLTSGO-UHFFFAOYSA-N
XLogP7.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.05
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-propan-2-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-propan-2-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide (CID 70808888) is 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-propan-2-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-propan-2-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-propan-2-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide is Cc1cccc(-c2c(C(C)C)sc3nc(C)cc(NS(=O)(=O)c4cccc(Cl)c4)c23)c1.
What is the InChIKey of 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-propan-2-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide?
The InChIKey is OOAAOBHJHLTSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2S2/c1-14(2)23-21(17-8-5-7-15(3)11-17)22-20(12-16(4)26-24(22)30-23)27-31(28,29)19-10-6-9-18(25)13-19/h5-14H,1-4H3,(H,26,27).
What are the key properties of 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-propan-2-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide?
3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-propan-2-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide has a molecular weight of 471.05 g/mol, XLogP of 7.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-methyl-3-(3-methylphenyl)-2-propan-2-ylthieno[2,3-b]pyridin-4-yl]benzenesulfonamide is sourced from PubChem (CID 70808888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).