2-(3-aminophenyl)sulfonyl-1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone

C30H24F2N2O3S — CID 58132255

IUPAC2-(3-aminophenyl)sulfonyl-1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone
SMILESCc1ccc2c(c1)c(-c1ccccc1F)c(C(=O)CS(=O)(=O)c1cccc(N)c1)n2Cc1ccccc1F
InChIInChI=1S/C30H24F2N2O3S/c1-19-13-14-27-24(15-19)29(23-10-3-5-12-26(23)32)30(34(27)17-20-7-2-4-11-25(20)31)28(35)18-38(36,37)22-9-6-8-21(33)16-22/h2-16H,17-18,33H2,1H3
InChIKeyVFIRHYGVYOFMCU-UHFFFAOYSA-N
MW530.60 g/mol
LogP6.18
Rot. Bonds7

About 2-(3-aminophenyl)sulfonyl-1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone

2-(3-aminophenyl)sulfonyl-1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone (PubChem CID 58132255) has the molecular formula C30H24F2N2O3S and a molecular weight of 530.60 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfonyl-1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfonyl-1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone
PubChem CID58132255
Molecular FormulaC30H24F2N2O3S
Molecular Weight530.60 g/mol
Exact Mass530.15
IUPAC Name2-(3-aminophenyl)sulfonyl-1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone
SMILESCc1ccc2c(c1)c(-c1ccccc1F)c(C(=O)CS(=O)(=O)c1cccc(N)c1)n2Cc1ccccc1F
InChIInChI=1S/C30H24F2N2O3S/c1-19-13-14-27-24(15-19)29(23-10-3-5-12-26(23)32)30(34(27)17-20-7-2-4-11-25(20)31)28(35)18-38(36,37)22-9-6-8-21(33)16-22/h2-16H,17-18,33H2,1H3
InChIKeyVFIRHYGVYOFMCU-UHFFFAOYSA-N
XLogP6.18
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.60
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
CID 137400227
6-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)thieno[2,3-e]indole-7-carboxamide
CID 25173548
N-cyclopropylsulfonyl-1-[(2-fluoro-5-methylsulfonyl-phenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132489
N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-methylsulfonyl-phenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132933
N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylindole-5-carboxamide
CID 130432661
N-[(4-ethylsulfonylphenyl)methyl]-2-[(2-methylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide
CID 130432668
N-[(4-ethylsulfonylphenyl)methyl]-1-propan-2-yl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 130432669
N-[(4-ethylsulfonylphenyl)methyl]-1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 130432681
2-[(2-ethylphenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide
CID 130432732
N-[(4-ethylsulfonylphenyl)methyl]-1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 130432736
9-(cyclohexylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
CID 137387862
9-(cyclopropylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
CID 137399020

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfonyl-1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone?
The IUPAC name of 2-(3-aminophenyl)sulfonyl-1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone (CID 58132255) is 2-(3-aminophenyl)sulfonyl-1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone.
What is the SMILES notation for 2-(3-aminophenyl)sulfonyl-1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone?
The canonical SMILES for 2-(3-aminophenyl)sulfonyl-1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone is Cc1ccc2c(c1)c(-c1ccccc1F)c(C(=O)CS(=O)(=O)c1cccc(N)c1)n2Cc1ccccc1F.
What is the InChIKey of 2-(3-aminophenyl)sulfonyl-1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone?
The InChIKey is VFIRHYGVYOFMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F2N2O3S/c1-19-13-14-27-24(15-19)29(23-10-3-5-12-26(23)32)30(34(27)17-20-7-2-4-11-25(20)31)28(35)18-38(36,37)22-9-6-8-21(33)16-22/h2-16H,17-18,33H2,1H3.
What are the key properties of 2-(3-aminophenyl)sulfonyl-1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone?
2-(3-aminophenyl)sulfonyl-1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone has a molecular weight of 530.60 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfonyl-1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone is sourced from PubChem (CID 58132255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).