2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

C27H28ClN3O4S2 — CID 59631899

About 2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (PubChem CID 59631899) has the molecular formula C27H28ClN3O4S2 and a molecular weight of 558.13 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
• PubChem CID: 59631899
• Molecular Formula: C27H28ClN3O4S2
• Molecular Weight: 558.13 g/mol
• Exact Mass: 557.12
• IUPAC Name: 2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
• SMILES: Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(-c2cc(C(C)(C)O)nn2-c2ccccc2Cl)s1
• InChI: InChI=1S/C27H28ClN3O4S2/c1-18-8-9-19(37(33,34)30-12-14-35-15-13-30)16-20(18)24-10-11-25(36-24)23-17-26(27(2,3)32)29-31(23)22-7-5-4-6-21(22)28/h4-11,16-17,32H,12-15H2,1-3H3
• InChIKey: WTQMJBFKKVFYEJ-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 84.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.13
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?

The IUPAC name of 2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (CID 59631899) is 2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.

What is the SMILES notation for 2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?

The canonical SMILES for 2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(-c2cc(C(C)(C)O)nn2-c2ccccc2Cl)s1.

What is the InChIKey of 2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?

The InChIKey is WTQMJBFKKVFYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O4S2/c1-18-8-9-19(37(33,34)30-12-14-35-15-13-30)16-20(18)24-10-11-25(36-24)23-17-26(27(2,3)32)29-31(23)22-7-5-4-6-21(22)28/h4-11,16-17,32H,12-15H2,1-3H3.

What are the key properties of 2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?

2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol has a molecular weight of 558.13 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 59631899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).