N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide

C18H19FN2O3S — CID 110384490

IUPACN-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)NCCc3ccc(F)cc3)cc21
InChIInChI=1S/C18H19FN2O3S/c1-18(2)15-11-14(7-8-16(15)21-17(18)22)25(23,24)20-10-9-12-3-5-13(19)6-4-12/h3-8,11,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyDQHXLPZDLKTDQH-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.58
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide

N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide (PubChem CID 110384490) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
PubChem CID110384490
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)NCCc3ccc(F)cc3)cc21
InChIInChI=1S/C18H19FN2O3S/c1-18(2)15-11-14(7-8-16(15)21-17(18)22)25(23,24)20-10-9-12-3-5-13(19)6-4-12/h3-8,11,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyDQHXLPZDLKTDQH-UHFFFAOYSA-N
XLogP2.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
CID 110384507
N-(2,6-difluorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384568
4-fluoro-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 110788495
N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 20921805
N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 56687358
3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37478572
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 20921822
N-[4-(4-fluorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110288772
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide
CID 110759965
1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide
CID 22518795
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide (CID 110384490) is N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide is CC1(C)C(=O)Nc2ccc(S(=O)(=O)NCCc3ccc(F)cc3)cc21.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is DQHXLPZDLKTDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-18(2)15-11-14(7-8-16(15)21-17(18)22)25(23,24)20-10-9-12-3-5-13(19)6-4-12/h3-8,11,20H,9-10H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 362.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 110384490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).