N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide

C23H19ClN2O3S2 — CID 46392562

About N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 46392562) has the molecular formula C23H19ClN2O3S2 and a molecular weight of 471.00 g/mol. Its IUPAC name is N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

• Compound Name: N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
• PubChem CID: 46392562
• Molecular Formula: C23H19ClN2O3S2
• Molecular Weight: 471.00 g/mol
• Exact Mass: 470.05
• IUPAC Name: N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
• SMILES: COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc5c(c4)CCC5)cc3Cl)sc2c1
• InChI: InChI=1S/C23H19ClN2O3S2/c1-29-17-7-10-21-22(13-17)30-23(25-21)19-9-6-16(12-20(19)24)26-31(27,28)18-8-5-14-3-2-4-15(14)11-18/h5-13,26H,2-4H2,1H3
• InChIKey: XFFRGRROPVHDFO-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 68.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.00
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?

The IUPAC name of N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 46392562) is N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide.

What is the SMILES notation for N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?

The canonical SMILES for N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide is COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc5c(c4)CCC5)cc3Cl)sc2c1.

What is the InChIKey of N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?

The InChIKey is XFFRGRROPVHDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S2/c1-29-17-7-10-21-22(13-17)30-23(25-21)19-9-6-16(12-20(19)24)26-31(27,28)18-8-5-14-3-2-4-15(14)11-18/h5-13,26H,2-4H2,1H3.

What are the key properties of N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?

N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 471.00 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 46392562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).