1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide

C23H23FN4O3S — CID 129283570

IUPAC1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C23H23FN4O3S/c1-27(10-11-29)32(30,31)17-6-7-19-21(12-17)28(15-23(19)8-9-23)22-25-13-16(14-26-22)18-4-2-3-5-20(18)24/h2-7,12-14,29H,8-11,15H2,1H3
InChIKeySSJJGHZJTNRQEX-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.08
Rot. Bonds6

About 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide

1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide (PubChem CID 129283570) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide
PubChem CID129283570
Molecular FormulaC23H23FN4O3S
Molecular Weight454.53 g/mol
Exact Mass454.15
IUPAC Name1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C23H23FN4O3S/c1-27(10-11-29)32(30,31)17-6-7-19-21(12-17)28(15-23(19)8-9-23)22-25-13-16(14-26-22)18-4-2-3-5-20(18)24/h2-7,12-14,29H,8-11,15H2,1H3
InChIKeySSJJGHZJTNRQEX-UHFFFAOYSA-N
XLogP3.08
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide?
The IUPAC name of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide (CID 129283570) is 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide.
What is the SMILES notation for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide?
The canonical SMILES for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide is CN(CCO)S(=O)(=O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1.
What is the InChIKey of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide?
The InChIKey is SSJJGHZJTNRQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3S/c1-27(10-11-29)32(30,31)17-6-7-19-21(12-17)28(15-23(19)8-9-23)22-25-13-16(14-26-22)18-4-2-3-5-20(18)24/h2-7,12-14,29H,8-11,15H2,1H3.
What are the key properties of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide?
1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide has a molecular weight of 454.53 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide is sourced from PubChem (CID 129283570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).