6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide

C30H21ClFN3O5S — CID 59283535

About 6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide

6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide (PubChem CID 59283535) has the molecular formula C30H21ClFN3O5S and a molecular weight of 590.03 g/mol. Its IUPAC name is 6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide.

Molecular Properties

• Compound Name: 6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
• PubChem CID: 59283535
• Molecular Formula: C30H21ClFN3O5S
• Molecular Weight: 590.03 g/mol
• Exact Mass: 589.09
• IUPAC Name: 6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
• SMILES: O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(Cl)cc2ccccc12
• InChI: InChI=1S/C30H21ClFN3O5S/c31-18-12-16-4-1-2-5-20(16)17(13-18)15-35-24-14-23(32)21-9-11-40-28(21)26(24)25(22-6-3-10-33-29(22)36)27(35)30(37)34-41(38,39)19-7-8-19/h1-6,9-14,19H,7-8,15H2,(H,33,36)(H,34,37)
• InChIKey: KUNMRRIWLUZMQH-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 114.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.03
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?

The IUPAC name of 6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide (CID 59283535) is 6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide.

What is the SMILES notation for 6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?

The canonical SMILES for 6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide is O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(Cl)cc2ccccc12.

What is the InChIKey of 6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?

The InChIKey is KUNMRRIWLUZMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21ClFN3O5S/c31-18-12-16-4-1-2-5-20(16)17(13-18)15-35-24-14-23(32)21-9-11-40-28(21)26(24)25(22-6-3-10-33-29(22)36)27(35)30(37)34-41(38,39)19-7-8-19/h1-6,9-14,19H,7-8,15H2,(H,33,36)(H,34,37).

What are the key properties of 6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?

6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide has a molecular weight of 590.03 g/mol, XLogP of 5.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide is sourced from PubChem (CID 59283535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).