1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide

C17H16F2N2O3S — CID 51299300

IUPAC1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cc2CC1C
InChIInChI=1S/C17H16F2N2O3S/c1-10-5-12-6-16(3-4-17(12)21(10)11(2)22)25(23,24)20-15-8-13(18)7-14(19)9-15/h3-4,6-10,20H,5H2,1-2H3
InChIKeyHFANGQFHQGSOAB-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.06
Rot. Bonds3

About 1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 51299300) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is 1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID51299300
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC Name1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cc2CC1C
InChIInChI=1S/C17H16F2N2O3S/c1-10-5-12-6-16(3-4-17(12)21(10)11(2)22)25(23,24)20-15-8-13(18)7-14(19)9-15/h3-4,6-10,20H,5H2,1-2H3
InChIKeyHFANGQFHQGSOAB-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
dimethyl 5-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]benzene-1,3-dicarboxylate
CID 131842012
(2S)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637750
(2R)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637751
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 43055164
ethyl 4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]benzoate
CID 40653874
1-acetyl-N-[1-(aminomethyl)cyclopentyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 119980970
(2R)-1-acetyl-2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 51963359
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide
CID 89426561
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 51299300) is 1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cc2CC1C.
What is the InChIKey of 1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is HFANGQFHQGSOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c1-10-5-12-6-16(3-4-17(12)21(10)11(2)22)25(23,24)20-15-8-13(18)7-14(19)9-15/h3-4,6-10,20H,5H2,1-2H3.
What are the key properties of 1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 366.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 51299300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).