5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid

C13H10FNO4S2 — CID 103717309

IUPAC5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)s1
InChIInChI=1S/C13H10FNO4S2/c14-9-2-1-8-5-6-15(10(8)7-9)21(18,19)12-4-3-11(20-12)13(16)17/h1-4,7H,5-6H2,(H,16,17)
InChIKeyAKAOFXMHJZDYPC-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.34
Rot. Bonds3

About 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid

5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid (PubChem CID 103717309) has the molecular formula C13H10FNO4S2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid
PubChem CID103717309
Molecular FormulaC13H10FNO4S2
Molecular Weight327.36 g/mol
Exact Mass327.00
IUPAC Name5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)s1
InChIInChI=1S/C13H10FNO4S2/c14-9-2-1-8-5-6-15(10(8)7-9)21(18,19)12-4-3-11(20-12)13(16)17/h1-4,7H,5-6H2,(H,16,17)
InChIKeyAKAOFXMHJZDYPC-UHFFFAOYSA-N
XLogP2.34
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 103499722
2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid
CID 56797641
methyl 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-hydroxybenzoate
CID 71882388
2-amino-4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 103493859
6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
CID 60603664
[4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine
CID 103495192
1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole
CID 103504169
5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
CID 61027232
5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907129
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine
CID 103495195
(5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 113228439
4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid
CID 103497753

Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid (CID 103717309) is 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)s1.
What is the InChIKey of 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid?
The InChIKey is AKAOFXMHJZDYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4S2/c14-9-2-1-8-5-6-15(10(8)7-9)21(18,19)12-4-3-11(20-12)13(16)17/h1-4,7H,5-6H2,(H,16,17).
What are the key properties of 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid?
5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103717309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).