4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide

C17H17FN2O3S — CID 110730096

IUPAC4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2C(=O)Cc3ccccc32)ccc1F
InChIInChI=1S/C17H17FN2O3S/c1-12-10-14(6-7-15(12)18)24(22,23)19-8-9-20-16-5-3-2-4-13(16)11-17(20)21/h2-7,10,19H,8-9,11H2,1H3
InChIKeyKCHAVUKRIWUNHP-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.00
Rot. Bonds5

About 4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide

4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide (PubChem CID 110730096) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide
PubChem CID110730096
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2C(=O)Cc3ccccc32)ccc1F
InChIInChI=1S/C17H17FN2O3S/c1-12-10-14(6-7-15(12)18)24(22,23)19-8-9-20-16-5-3-2-4-13(16)11-17(20)21/h2-7,10,19H,8-9,11H2,1H3
InChIKeyKCHAVUKRIWUNHP-UHFFFAOYSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide
CID 110730109
4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide
CID 133189855
5-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide
CID 110730099
1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide
CID 126769243
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide
CID 110730098
1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide
CID 110730104
4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267445
4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide
CID 71782271
3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730047
4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710174
3,4-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730027

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide (CID 110730096) is 4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCN2C(=O)Cc3ccccc32)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is KCHAVUKRIWUNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-12-10-14(6-7-15(12)18)24(22,23)19-8-9-20-16-5-3-2-4-13(16)11-17(20)21/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 348.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110730096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).