1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide

C17H17FN2O3S — CID 110781518

IUPAC1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide
SMILESCN1C(=O)Cc2cc(CNS(=O)(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C17H17FN2O3S/c1-20-16-7-4-13(8-14(16)9-17(20)21)10-19-24(22,23)11-12-2-5-15(18)6-3-12/h2-8,19H,9-11H2,1H3
InChIKeyMSOPAGUSSZYQNS-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.96
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide (PubChem CID 110781518) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide
PubChem CID110781518
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide
SMILESCN1C(=O)Cc2cc(CNS(=O)(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C17H17FN2O3S/c1-20-16-7-4-13(8-14(16)9-17(20)21)10-19-24(22,23)11-12-2-5-15(18)6-3-12/h2-8,19H,9-11H2,1H3
InChIKeyMSOPAGUSSZYQNS-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342517
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110781515
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide
CID 110781511
1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342516
N-[(4-ethylphenyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110779553
5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one
CID 115258520
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110779627
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide
CID 110788593
3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
CID 110777137
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one
CID 115196517

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide (CID 110781518) is 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide is CN1C(=O)Cc2cc(CNS(=O)(=O)Cc3ccc(F)cc3)ccc21.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide?
The InChIKey is MSOPAGUSSZYQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-20-16-7-4-13(8-14(16)9-17(20)21)10-19-24(22,23)11-12-2-5-15(18)6-3-12/h2-8,19H,9-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide has a molecular weight of 348.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110781518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).