6-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;(2S)-2-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide

C28H27ClFN9O6S4 — CID 158571860

About 6-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;(2S)-2-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide

6-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;(2S)-2-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide (PubChem CID 158571860) has the molecular formula C28H27ClFN9O6S4 and a molecular weight of 768.30 g/mol. Its IUPAC name is 6-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;(2S)-2-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide.

Molecular Properties

• Compound Name: 6-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;(2S)-2-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide
• PubChem CID: 158571860
• Molecular Formula: C28H27ClFN9O6S4
• Molecular Weight: 768.30 g/mol
• Exact Mass: 767.06
• IUPAC Name: 6-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;(2S)-2-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide
• SMILES: Nc1ccc(S(=O)(=O)Nc2nccs2)cn1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cn1)[C@H](CCO)N1CCc2c1ccc(F)c2Cl
• InChI: InChI=1S/C20H19ClFN5O4S2.C8H8N4O2S2/c21-18-13-5-8-27(15(13)3-2-14(18)22)16(6-9-28)19(29)25-17-4-1-12(11-24-17)33(30,31)26-20-23-7-10-32-20;9-7-2-1-6(5-11-7)16(13,14)12-8-10-3-4-15-8/h1-4,7,10-11,16,28H,5-6,8-9H2,(H,23,26)(H,24,25,29);1-5H,(H2,9,11)(H,10,12)/t16-;/m0./s1
• InChIKey: HSEFRGGUNVMXII-NTISSMGPSA-N
• XLogP: 3.80
• TPSA: 222.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.30
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;(2S)-2-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide?

The IUPAC name of 6-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;(2S)-2-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide (CID 158571860) is 6-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;(2S)-2-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide.

What is the SMILES notation for 6-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;(2S)-2-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide?

The canonical SMILES for 6-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;(2S)-2-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide is Nc1ccc(S(=O)(=O)Nc2nccs2)cn1.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cn1)[C@H](CCO)N1CCc2c1ccc(F)c2Cl.

What is the InChIKey of 6-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;(2S)-2-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide?

The InChIKey is HSEFRGGUNVMXII-NTISSMGPSA-N. The full InChI is InChI=1S/C20H19ClFN5O4S2.C8H8N4O2S2/c21-18-13-5-8-27(15(13)3-2-14(18)22)16(6-9-28)19(29)25-17-4-1-12(11-24-17)33(30,31)26-20-23-7-10-32-20;9-7-2-1-6(5-11-7)16(13,14)12-8-10-3-4-15-8/h1-4,7,10-11,16,28H,5-6,8-9H2,(H,23,26)(H,24,25,29);1-5H,(H2,9,11)(H,10,12)/t16-;/m0./s1.

What are the key properties of 6-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;(2S)-2-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide?

6-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;(2S)-2-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide has a molecular weight of 768.30 g/mol, XLogP of 3.80, 11 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide;(2S)-2-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-4-hydroxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2-pyridinyl]butanamide is sourced from PubChem (CID 158571860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).