2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide

C29H25BrClN3O5S2 — CID 100790609

IUPAC2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C29H25BrClN3O5S2/c30-23-7-12-26(13-8-23)40(36,37)33(19-21-4-2-1-3-5-21)20-29(35)32-25-11-6-22-16-17-34(28(22)18-25)41(38,39)27-14-9-24(31)10-15-27/h1-15,18H,16-17,19-20H2,(H,32,35)
InChIKeyZBHCDVWJYPYHNF-UHFFFAOYSA-N
MW675.03 g/mol
LogP5.68
Rot. Bonds9

About 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide

2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide (PubChem CID 100790609) has the molecular formula C29H25BrClN3O5S2 and a molecular weight of 675.03 g/mol. Its IUPAC name is 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide
PubChem CID100790609
Molecular FormulaC29H25BrClN3O5S2
Molecular Weight675.03 g/mol
Exact Mass673.01
IUPAC Name2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C29H25BrClN3O5S2/c30-23-7-12-26(13-8-23)40(36,37)33(19-21-4-2-1-3-5-21)20-29(35)32-25-11-6-22-16-17-34(28(22)18-25)41(38,39)27-14-9-24(31)10-15-27/h1-15,18H,16-17,19-20H2,(H,32,35)
InChIKeyZBHCDVWJYPYHNF-UHFFFAOYSA-N
XLogP5.68
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.03
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide
CID 100793868
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790258
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide
CID 100787371
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100794243
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
CID 98106971
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1329355
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126065599
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 3910541
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 22781566
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 126011905
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-cyanophenyl)acetamide
CID 100794127
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100794607

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide?
The IUPAC name of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide (CID 100790609) is 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide.
What is the SMILES notation for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide?
The canonical SMILES for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2.
What is the InChIKey of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide?
The InChIKey is ZBHCDVWJYPYHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25BrClN3O5S2/c30-23-7-12-26(13-8-23)40(36,37)33(19-21-4-2-1-3-5-21)20-29(35)32-25-11-6-22-16-17-34(28(22)18-25)41(38,39)27-14-9-24(31)10-15-27/h1-15,18H,16-17,19-20H2,(H,32,35).
What are the key properties of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide?
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide has a molecular weight of 675.03 g/mol, XLogP of 5.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]acetamide is sourced from PubChem (CID 100790609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).