1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole

C17H18FNO3S — CID 110758239

IUPAC1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1F
InChIInChI=1S/C17H18FNO3S/c1-12(2)22-17-8-7-14(11-15(17)18)23(20,21)19-10-9-13-5-3-4-6-16(13)19/h3-8,11-12H,9-10H2,1-2H3
InChIKeyVLYUMSSTMUWMGD-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.36
Rot. Bonds4

About 1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole

1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 110758239) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole
PubChem CID110758239
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1F
InChIInChI=1S/C17H18FNO3S/c1-12(2)22-17-8-7-14(11-15(17)18)23(20,21)19-10-9-13-5-3-4-6-16(13)19/h3-8,11-12H,9-10H2,1-2H3
InChIKeyVLYUMSSTMUWMGD-UHFFFAOYSA-N
XLogP3.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde
CID 110758217
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 974280
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758210
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024
4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 28796047
N-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 112763869
1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole (CID 110758239) is 1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole is CC(C)Oc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1F.
What is the InChIKey of 1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is VLYUMSSTMUWMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-12(2)22-17-8-7-14(11-15(17)18)23(20,21)19-10-9-13-5-3-4-6-16(13)19/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole?
1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 335.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 110758239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).