5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one

C19H18F2N2O3S — CID 75439608

IUPAC5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCc4ccc(F)c(F)c43)cc21
InChIInChI=1S/C19H18F2N2O3S/c1-19(2)13-10-12(6-8-15(13)22-18(19)24)27(25,26)23-9-3-4-11-5-7-14(20)16(21)17(11)23/h5-8,10H,3-4,9H2,1-2H3,(H,22,24)
InChIKeyLPQFARGYCCMBNW-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.34
Rot. Bonds2

About 5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one

5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 75439608) has the molecular formula C19H18F2N2O3S and a molecular weight of 392.43 g/mol. Its IUPAC name is 5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID75439608
Molecular FormulaC19H18F2N2O3S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCc4ccc(F)c(F)c43)cc21
InChIInChI=1S/C19H18F2N2O3S/c1-19(2)13-10-12(6-8-15(13)22-18(19)24)27(25,26)23-9-3-4-11-5-7-14(20)16(21)17(11)23/h5-8,10H,3-4,9H2,1-2H3,(H,22,24)
InChIKeyLPQFARGYCCMBNW-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one (CID 75439608) is 5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCc4ccc(F)c(F)c43)cc21.
What is the InChIKey of 5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is LPQFARGYCCMBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3S/c1-19(2)13-10-12(6-8-15(13)22-18(19)24)27(25,26)23-9-3-4-11-5-7-14(20)16(21)17(11)23/h5-8,10H,3-4,9H2,1-2H3,(H,22,24).
What are the key properties of 5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one?
5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 392.43 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 75439608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).