3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide

C20H17ClN2O5S2 — CID 18573175

About 3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide

3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 18573175) has the molecular formula C20H17ClN2O5S2 and a molecular weight of 464.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 18573175
• Molecular Formula: C20H17ClN2O5S2
• Molecular Weight: 464.95 g/mol
• Exact Mass: 464.03
• IUPAC Name: 3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
• SMILES: O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1
• InChI: InChI=1S/C20H17ClN2O5S2/c21-14-2-4-15(5-3-14)30(25,26)10-7-19(24)23-20-22-16(12-29-20)13-1-6-17-18(11-13)28-9-8-27-17/h1-6,11-12H,7-10H2,(H,22,23,24)
• InChIKey: SDIGNHCJNYBGQV-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 94.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.95
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide (CID 18573175) is 3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1.

What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is SDIGNHCJNYBGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O5S2/c21-14-2-4-15(5-3-14)30(25,26)10-7-19(24)23-20-22-16(12-29-20)13-1-6-17-18(11-13)28-9-8-27-17/h1-6,11-12H,7-10H2,(H,22,23,24).

What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide?

3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 464.95 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 18573175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).