N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide

C23H20BrN3O4S — CID 2458986

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(CNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ccccc1Br
InChIInChI=1S/C23H20BrN3O4S/c24-19-9-2-3-10-20(19)26-22(28)15-25-23(29)17-7-5-8-18(14-17)32(30,31)27-13-12-16-6-1-4-11-21(16)27/h1-11,14H,12-13,15H2,(H,25,29)(H,26,28)
InChIKeyDUMISNPTBHZYTM-UHFFFAOYSA-N
MW514.40 g/mol
LogP3.57
Rot. Bonds6

About N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide

N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide (PubChem CID 2458986) has the molecular formula C23H20BrN3O4S and a molecular weight of 514.40 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
PubChem CID2458986
Molecular FormulaC23H20BrN3O4S
Molecular Weight514.40 g/mol
Exact Mass513.04
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(CNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ccccc1Br
InChIInChI=1S/C23H20BrN3O4S/c24-19-9-2-3-10-20(19)26-22(28)15-25-23(29)17-7-5-8-18(14-17)32(30,31)27-13-12-16-6-1-4-11-21(16)27/h1-11,14H,12-13,15H2,(H,25,29)(H,26,28)
InChIKeyDUMISNPTBHZYTM-UHFFFAOYSA-N
XLogP3.57
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propan-2-ylphenyl)benzamide
CID 7958230
3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide
CID 39132073
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 55646957
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 26796768
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 26616833
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4983147

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide (CID 2458986) is N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide is O=C(CNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The InChIKey is DUMISNPTBHZYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O4S/c24-19-9-2-3-10-20(19)26-22(28)15-25-23(29)17-7-5-8-18(14-17)32(30,31)27-13-12-16-6-1-4-11-21(16)27/h1-11,14H,12-13,15H2,(H,25,29)(H,26,28).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide has a molecular weight of 514.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide is sourced from PubChem (CID 2458986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).