5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide

C14H13FN2O3S2 — CID 154798284

IUPAC5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1csc(C(=O)N2CCc3cc(F)ccc32)c1
InChIInChI=1S/C14H13FN2O3S2/c1-16-22(19,20)11-7-13(21-8-11)14(18)17-5-4-9-6-10(15)2-3-12(9)17/h2-3,6-8,16H,4-5H2,1H3
InChIKeyVUKDNKSAJODUSH-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.00
Rot. Bonds3

About 5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide

5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide (PubChem CID 154798284) has the molecular formula C14H13FN2O3S2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide
PubChem CID154798284
Molecular FormulaC14H13FN2O3S2
Molecular Weight340.40 g/mol
Exact Mass340.04
IUPAC Name5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1csc(C(=O)N2CCc3cc(F)ccc32)c1
InChIInChI=1S/C14H13FN2O3S2/c1-16-22(19,20)11-7-13(21-8-11)14(18)17-5-4-9-6-10(15)2-3-12(9)17/h2-3,6-8,16H,4-5H2,1H3
InChIKeyVUKDNKSAJODUSH-UHFFFAOYSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-fluoro-2,3-dihydroindole-1-carboxylate
CID 110713972
1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 119305331
(5-chlorothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47168711
4-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 7498891
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 47026550
1-(6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carbonyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 46968266
N-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide
CID 166411880
CID 89009640
CID 89009640
5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide
CID 124595434
N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide
CID 51098284
(2-chloro-4-fluorophenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
CID 26527276
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide
CID 51219427

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide (CID 154798284) is 5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide is CNS(=O)(=O)c1csc(C(=O)N2CCc3cc(F)ccc32)c1.
What is the InChIKey of 5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide?
The InChIKey is VUKDNKSAJODUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S2/c1-16-22(19,20)11-7-13(21-8-11)14(18)17-5-4-9-6-10(15)2-3-12(9)17/h2-3,6-8,16H,4-5H2,1H3.
What are the key properties of 5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide?
5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide has a molecular weight of 340.40 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 154798284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).