5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indole-2-carboxamide

C27H28FN3O4S — CID 11649157

About 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indole-2-carboxamide

5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indole-2-carboxamide (PubChem CID 11649157) has the molecular formula C27H28FN3O4S and a molecular weight of 509.60 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
• PubChem CID: 11649157
• Molecular Formula: C27H28FN3O4S
• Molecular Weight: 509.60 g/mol
• Exact Mass: 509.18
• IUPAC Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
• SMILES: CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCCO)c(-c4cccc(F)c4)c3c2)cc1
• InChI: InChI=1S/C27H28FN3O4S/c1-27(2,3)18-7-10-21(11-8-18)36(34,35)31-20-9-12-23-22(16-20)24(17-5-4-6-19(28)15-17)25(30-23)26(33)29-13-14-32/h4-12,15-16,30-32H,13-14H2,1-3H3,(H,29,33)
• InChIKey: GUTIZOGBTHYVGY-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 111.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.60
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?

The IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indole-2-carboxamide (CID 11649157) is 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indole-2-carboxamide.

What is the SMILES notation for 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?

The canonical SMILES for 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indole-2-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCCO)c(-c4cccc(F)c4)c3c2)cc1.

What is the InChIKey of 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?

The InChIKey is GUTIZOGBTHYVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O4S/c1-27(2,3)18-7-10-21(11-8-18)36(34,35)31-20-9-12-23-22(16-20)24(17-5-4-6-19(28)15-17)25(30-23)26(33)29-13-14-32/h4-12,15-16,30-32H,13-14H2,1-3H3,(H,29,33).

What are the key properties of 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?

5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indole-2-carboxamide has a molecular weight of 509.60 g/mol, XLogP of 4.79, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 11649157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).