4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide

C23H19Br2ClN2O3S — CID 100794106

IUPAC4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide
SMILESO=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C23H19Br2ClN2O3S/c24-18-3-8-21(9-4-18)32(30,31)27(14-16-1-6-20(26)7-2-16)15-23(29)28-12-11-17-13-19(25)5-10-22(17)28/h1-10,13H,11-12,14-15H2
InChIKeyRUASGUUMQYJHET-UHFFFAOYSA-N
MW598.74 g/mol
LogP5.65
Rot. Bonds6

About 4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide

4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide (PubChem CID 100794106) has the molecular formula C23H19Br2ClN2O3S and a molecular weight of 598.74 g/mol. Its IUPAC name is 4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide
PubChem CID100794106
Molecular FormulaC23H19Br2ClN2O3S
Molecular Weight598.74 g/mol
Exact Mass595.92
IUPAC Name4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide
SMILESO=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C23H19Br2ClN2O3S/c24-18-3-8-21(9-4-18)32(30,31)27(14-16-1-6-20(26)7-2-16)15-23(29)28-12-11-17-13-19(25)5-10-22(17)28/h1-10,13H,11-12,14-15H2
InChIKeyRUASGUUMQYJHET-UHFFFAOYSA-N
XLogP5.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.74
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
CID 100793411
N-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide
CID 100791664
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 133179804
N-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 100797305
1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765097
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(3,4-dichlorophenyl)methyl]benzenesulfonamide
CID 100790490
4-bromo-N-[(4-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100794102
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 126066389
N-[(4-bromophenyl)methyl]-4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 126080311
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide
CID 100790609
(2R)-N-benzyl-4-[2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125061911
N-[(4-bromophenyl)methyl]-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1290646

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide (CID 100794106) is 4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide is O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N1CCc2cc(Br)ccc21.
What is the InChIKey of 4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide?
The InChIKey is RUASGUUMQYJHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Br2ClN2O3S/c24-18-3-8-21(9-4-18)32(30,31)27(14-16-1-6-20(26)7-2-16)15-23(29)28-12-11-17-13-19(25)5-10-22(17)28/h1-10,13H,11-12,14-15H2.
What are the key properties of 4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide?
4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide has a molecular weight of 598.74 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 100794106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).