1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide

C18H15BrClF3N2O3S — CID 15991661

IUPAC1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide
SMILESCC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1C
InChIInChI=1S/C18H15BrClF3N2O3S/c1-9-5-11-6-12(19)7-16(17(11)25(9)10(2)26)29(27,28)24-13-3-4-15(20)14(8-13)18(21,22)23/h3-4,6-9,24H,5H2,1-2H3
InChIKeyHULLJLZRPZTFPQ-UHFFFAOYSA-N
MW511.75 g/mol
LogP5.22
Rot. Bonds3

About 1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide

1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide (PubChem CID 15991661) has the molecular formula C18H15BrClF3N2O3S and a molecular weight of 511.75 g/mol. Its IUPAC name is 1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide
PubChem CID15991661
Molecular FormulaC18H15BrClF3N2O3S
Molecular Weight511.75 g/mol
Exact Mass509.96
IUPAC Name1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide
SMILESCC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1C
InChIInChI=1S/C18H15BrClF3N2O3S/c1-9-5-11-6-12(19)7-16(17(11)25(9)10(2)26)29(27,28)24-13-3-4-15(20)14(8-13)18(21,22)23/h3-4,6-9,24H,5H2,1-2H3
InChIKeyHULLJLZRPZTFPQ-UHFFFAOYSA-N
XLogP5.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.75
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
CID 3491525
3-[[(2R)-1-acetyl-5-bromo-2-methyl-2,3-dihydroindol-7-yl]sulfonyl]-N-(4-bromophenyl)propanamide
CID 98196599
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3712259
1-acetyl-5-bromo-N-[(4-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-7-sulfonamide
CID 15987830
1-[5-bromo-7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 15992585
4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3712416
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 27658187
1-[5-bromo-2-methyl-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 4136249
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 1006648
4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126415021
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100666453
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 61454443

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of 1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide (CID 15991661) is 1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for 1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for 1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide is CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1C.
What is the InChIKey of 1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide?
The InChIKey is HULLJLZRPZTFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClF3N2O3S/c1-9-5-11-6-12(19)7-16(17(11)25(9)10(2)26)29(27,28)24-13-3-4-15(20)14(8-13)18(21,22)23/h3-4,6-9,24H,5H2,1-2H3.
What are the key properties of 1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide?
1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide has a molecular weight of 511.75 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 15991661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).