4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one

C18H16FN3O4S — CID 70289917

IUPAC4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one
SMILESO=C1NC(S(=O)(=O)c2ccc3c(c2)CCN3)CN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H16FN3O4S/c19-13-3-1-2-12(8-13)17(23)22-10-16(21-18(22)24)27(25,26)14-4-5-15-11(9-14)6-7-20-15/h1-5,8-9,16,20H,6-7,10H2,(H,21,24)
InChIKeyYRDDWARTGZSTJB-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.76
Rot. Bonds3

About 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one

4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one (PubChem CID 70289917) has the molecular formula C18H16FN3O4S and a molecular weight of 389.41 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one
PubChem CID70289917
Molecular FormulaC18H16FN3O4S
Molecular Weight389.41 g/mol
Exact Mass389.08
IUPAC Name4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one
SMILESO=C1NC(S(=O)(=O)c2ccc3c(c2)CCN3)CN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H16FN3O4S/c19-13-3-1-2-12(8-13)17(23)22-10-16(21-18(22)24)27(25,26)14-4-5-15-11(9-14)6-7-20-15/h1-5,8-9,16,20H,6-7,10H2,(H,21,24)
InChIKeyYRDDWARTGZSTJB-UHFFFAOYSA-N
XLogP1.76
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one?
The IUPAC name of 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one (CID 70289917) is 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one is O=C1NC(S(=O)(=O)c2ccc3c(c2)CCN3)CN1C(=O)c1cccc(F)c1.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one?
The InChIKey is YRDDWARTGZSTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S/c19-13-3-1-2-12(8-13)17(23)22-10-16(21-18(22)24)27(25,26)14-4-5-15-11(9-14)6-7-20-15/h1-5,8-9,16,20H,6-7,10H2,(H,21,24).
What are the key properties of 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one?
4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one has a molecular weight of 389.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one is sourced from PubChem (CID 70289917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).