4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide

C21H19ClN2O5S2 — CID 41170534

About 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide

4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide (PubChem CID 41170534) has the molecular formula C21H19ClN2O5S2 and a molecular weight of 478.98 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
• PubChem CID: 41170534
• Molecular Formula: C21H19ClN2O5S2
• Molecular Weight: 478.98 g/mol
• Exact Mass: 478.04
• IUPAC Name: 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
• SMILES: C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C21H19ClN2O5S2/c1-13(15-4-7-17-18(12-15)29-11-10-28-17)23-21(25)14-2-5-16(6-3-14)24-31(26,27)20-9-8-19(22)30-20/h2-9,12-13,24H,10-11H2,1H3,(H,23,25)/t13-/m0/s1
• InChIKey: OEKOAZYZDLYQDP-ZDUSSCGKSA-N
• XLogP: 4.46
• TPSA: 93.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.98
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide?

The IUPAC name of 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide (CID 41170534) is 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide.

What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide?

The canonical SMILES for 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide is C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)c1ccc2c(c1)OCCO2.

What is the InChIKey of 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide?

The InChIKey is OEKOAZYZDLYQDP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H19ClN2O5S2/c1-13(15-4-7-17-18(12-15)29-11-10-28-17)23-21(25)14-2-5-16(6-3-14)24-31(26,27)20-9-8-19(22)30-20/h2-9,12-13,24H,10-11H2,1H3,(H,23,25)/t13-/m0/s1.

What are the key properties of 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide?

4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide has a molecular weight of 478.98 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide is sourced from PubChem (CID 41170534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).