1-acetyl-5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide

C19H20BrClN2O3S — CID 46505104

IUPAC1-acetyl-5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1c2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)c(Br)cc2CC1C
InChIInChI=1S/C19H20BrClN2O3S/c1-12-9-15-10-17(20)19(11-18(15)23(12)13(2)24)27(25,26)22-8-7-14-3-5-16(21)6-4-14/h3-6,10-12,22H,7-9H2,1-2H3
InChIKeyBHIMUSNSNGNMFQ-UHFFFAOYSA-N
MW471.80 g/mol
LogP3.92
Rot. Bonds5

About 1-acetyl-5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide

1-acetyl-5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 46505104) has the molecular formula C19H20BrClN2O3S and a molecular weight of 471.80 g/mol. Its IUPAC name is 1-acetyl-5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide
PubChem CID46505104
Molecular FormulaC19H20BrClN2O3S
Molecular Weight471.80 g/mol
Exact Mass470.01
IUPAC Name1-acetyl-5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1c2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)c(Br)cc2CC1C
InChIInChI=1S/C19H20BrClN2O3S/c1-12-9-15-10-17(20)19(11-18(15)23(12)13(2)24)27(25,26)22-8-7-14-3-5-16(21)6-4-14/h3-6,10-12,22H,7-9H2,1-2H3
InChIKeyBHIMUSNSNGNMFQ-UHFFFAOYSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.80
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
1-[6-(4-benzylpiperazin-1-yl)sulfonyl-5-bromo-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 46505144
5-bromo-1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)ethyl]-2,3-dihydroindole-6-sulfonamide
CID 46374628
1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55508757
1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
CID 3491525
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-phenylethyl)propanamide
CID 92687862
4-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide
CID 126459722
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9211019
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 46274855
1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20963981
1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
CID 20956706
(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-5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide (CID 46505104) is 1-acetyl-5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide is CC(=O)N1c2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)c(Br)cc2CC1C.
What is the InChIKey of 1-acetyl-5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is BHIMUSNSNGNMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O3S/c1-12-9-15-10-17(20)19(11-18(15)23(12)13(2)24)27(25,26)22-8-7-14-3-5-16(21)6-4-14/h3-6,10-12,22H,7-9H2,1-2H3.
What are the key properties of 1-acetyl-5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide?
1-acetyl-5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 471.80 g/mol, XLogP of 3.92, 5 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-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 46505104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).