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

C22H21FN4O2S — CID 129283517

IUPAC1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C22H21FN4O2S/c1-26(2)30(28,29)16-7-8-18-20(11-16)27(14-22(18)9-10-22)21-24-12-15(13-25-21)17-5-3-4-6-19(17)23/h3-8,11-13H,9-10,14H2,1-2H3
InChIKeyNPVAMNULWHWIOW-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.72
Rot. Bonds4

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

1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide (PubChem CID 129283517) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide
PubChem CID129283517
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC Name1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C22H21FN4O2S/c1-26(2)30(28,29)16-7-8-18-20(11-16)27(14-22(18)9-10-22)21-24-12-15(13-25-21)17-5-3-4-6-19(17)23/h3-8,11-13H,9-10,14H2,1-2H3
InChIKeyNPVAMNULWHWIOW-UHFFFAOYSA-N
XLogP3.72
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide?
The IUPAC name of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide (CID 129283517) is 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide.
What is the SMILES notation for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide?
The canonical SMILES for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1.
What is the InChIKey of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide?
The InChIKey is NPVAMNULWHWIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-26(2)30(28,29)16-7-8-18-20(11-16)27(14-22(18)9-10-22)21-24-12-15(13-25-21)17-5-3-4-6-19(17)23/h3-8,11-13H,9-10,14H2,1-2H3.
What are the key properties of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide?
1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide has a molecular weight of 424.50 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-sulfonamide is sourced from PubChem (CID 129283517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).