1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide

C21H24F2N2O5S — CID 55627848

IUPAC1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)cc1OC(F)F
InChIInChI=1S/C21H24F2N2O5S/c1-13-9-16-11-17(6-7-18(16)25(13)14(2)26)31(27,28)24(3)12-15-5-8-19(29-4)20(10-15)30-21(22)23/h5-8,10-11,13,21H,9,12H2,1-4H3
InChIKeyIZKSSCNPZBQAFH-UHFFFAOYSA-N
MW454.50 g/mol
LogP3.41
Rot. Bonds7

About 1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 55627848) has the molecular formula C21H24F2N2O5S and a molecular weight of 454.50 g/mol. Its IUPAC name is 1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID55627848
Molecular FormulaC21H24F2N2O5S
Molecular Weight454.50 g/mol
Exact Mass454.14
IUPAC Name1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)cc1OC(F)F
InChIInChI=1S/C21H24F2N2O5S/c1-13-9-16-11-17(6-7-18(16)25(13)14(2)26)31(27,28)24(3)12-15-5-8-19(29-4)20(10-15)30-21(22)23/h5-8,10-11,13,21H,9,12H2,1-4H3
InChIKeyIZKSSCNPZBQAFH-UHFFFAOYSA-N
XLogP3.41
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 51320229
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetic acid
CID 92863762
1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 55542300
1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 42933253
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 20901840
4-bromo-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylbenzenesulfonamide
CID 30329611
1-acetyl-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 74658277
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 41051661
1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20901814
1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 15996791
2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 41051668
1-acetyl-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20901824

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 55627848) is 1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide is COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)cc1OC(F)F.
What is the InChIKey of 1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is IZKSSCNPZBQAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O5S/c1-13-9-16-11-17(6-7-18(16)25(13)14(2)26)31(27,28)24(3)12-15-5-8-19(29-4)20(10-15)30-21(22)23/h5-8,10-11,13,21H,9,12H2,1-4H3.
What are the key properties of 1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 454.50 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55627848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).