6-(3-fluorophenyl)sulfonyl-1-propylnaphthalene

C19H17FO2S — CID 174586242

IUPAC6-(3-fluorophenyl)sulfonyl-1-propylnaphthalene
SMILESCCCc1cccc2cc(S(=O)(=O)c3cccc(F)c3)ccc12
InChIInChI=1S/C19H17FO2S/c1-2-5-14-6-3-7-15-12-18(10-11-19(14)15)23(21,22)17-9-4-8-16(20)13-17/h3-4,6-13H,2,5H2,1H3
InChIKeyPOPRCCHQMBDDQR-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.76
Rot. Bonds4

About 6-(3-fluorophenyl)sulfonyl-1-propylnaphthalene

6-(3-fluorophenyl)sulfonyl-1-propylnaphthalene (PubChem CID 174586242) has the molecular formula C19H17FO2S and a molecular weight of 328.41 g/mol. Its IUPAC name is 6-(3-fluorophenyl)sulfonyl-1-propylnaphthalene.

Molecular Properties

Compound Name6-(3-fluorophenyl)sulfonyl-1-propylnaphthalene
PubChem CID174586242
Molecular FormulaC19H17FO2S
Molecular Weight328.41 g/mol
Exact Mass328.09
IUPAC Name6-(3-fluorophenyl)sulfonyl-1-propylnaphthalene
SMILESCCCc1cccc2cc(S(=O)(=O)c3cccc(F)c3)ccc12
InChIInChI=1S/C19H17FO2S/c1-2-5-14-6-3-7-15-12-18(10-11-19(14)15)23(21,22)17-9-4-8-16(20)13-17/h3-4,6-13H,2,5H2,1H3
InChIKeyPOPRCCHQMBDDQR-UHFFFAOYSA-N
XLogP4.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]methanamine
CID 24800955
ethyl (E)-3-[6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]prop-2-enoate
CID 59028790
[6-(benzenesulfonyl)naphthalen-1-yl]methanamine
CID 59028770
potassium 5-tetradecylnaphthalene-2-sulfonate
CID 101317264
5-hexylnaphthalene-2-sulfonic acid
CID 101315022
calcium bis(3,8-dipropylnaphthalene-2-sulfonate)
CID 101325256
tert-butyl N-[[6-(benzenesulfonyl)naphthalen-1-yl]methyl]carbamate
CID 68507933
1-ethyl-7-fluoronaphthalene
CID 166534047
methanamine;1-propylnaphthalene
CID 174438724
4-(benzenesulfonyl)-1-methyl-2-propylbenzene
CID 143209762
sodium;hydride;4-propylnaphthalene-2-sulfonic acid
CID 173430311
2-fluoro-6-(6-fluoronaphthalen-2-yl)sulfonylnaphthalene
CID 59266821

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)sulfonyl-1-propylnaphthalene?
The IUPAC name of 6-(3-fluorophenyl)sulfonyl-1-propylnaphthalene (CID 174586242) is 6-(3-fluorophenyl)sulfonyl-1-propylnaphthalene.
What is the SMILES notation for 6-(3-fluorophenyl)sulfonyl-1-propylnaphthalene?
The canonical SMILES for 6-(3-fluorophenyl)sulfonyl-1-propylnaphthalene is CCCc1cccc2cc(S(=O)(=O)c3cccc(F)c3)ccc12.
What is the InChIKey of 6-(3-fluorophenyl)sulfonyl-1-propylnaphthalene?
The InChIKey is POPRCCHQMBDDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO2S/c1-2-5-14-6-3-7-15-12-18(10-11-19(14)15)23(21,22)17-9-4-8-16(20)13-17/h3-4,6-13H,2,5H2,1H3.
What are the key properties of 6-(3-fluorophenyl)sulfonyl-1-propylnaphthalene?
6-(3-fluorophenyl)sulfonyl-1-propylnaphthalene has a molecular weight of 328.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)sulfonyl-1-propylnaphthalene is sourced from PubChem (CID 174586242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).