1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide

C19H20BrClN2O4S — CID 4085374

IUPAC1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)C(C)C2
InChIInChI=1S/C19H20BrClN2O4S/c1-10-5-16(17(27-4)9-15(10)21)22-28(25,26)18-8-14(20)7-13-6-11(2)23(12(3)24)19(13)18/h5,7-9,11,22H,6H2,1-4H3
InChIKeyDGMBTVIRPLRQAI-UHFFFAOYSA-N
MW487.80 g/mol
LogP4.52
Rot. Bonds4

About 1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide

1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide (PubChem CID 4085374) has the molecular formula C19H20BrClN2O4S and a molecular weight of 487.80 g/mol. Its IUPAC name is 1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
PubChem CID4085374
Molecular FormulaC19H20BrClN2O4S
Molecular Weight487.80 g/mol
Exact Mass486.00
IUPAC Name1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)C(C)C2
InChIInChI=1S/C19H20BrClN2O4S/c1-10-5-16(17(27-4)9-15(10)21)22-28(25,26)18-8-14(20)7-13-6-11(2)23(12(3)24)19(13)18/h5,7-9,11,22H,6H2,1-4H3
InChIKeyDGMBTVIRPLRQAI-UHFFFAOYSA-N
XLogP4.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.80
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide with MolForge

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Related Compounds

1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
CID 3491525
1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
CID 15991662
1-acetyl-5-bromo-N-[(4-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-7-sulfonamide
CID 15987830
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 27993653
5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide
CID 7940782
1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 15996791
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 55731063
4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 7940785
dimethyl 2-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 29424922
5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79998350
3-[[(2R)-1-acetyl-5-bromo-2-methyl-2,3-dihydroindol-7-yl]sulfonyl]-N-(4-bromophenyl)propanamide
CID 98196599

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of 1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide (CID 4085374) is 1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for 1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for 1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide is COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)C(C)C2.
What is the InChIKey of 1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide?
The InChIKey is DGMBTVIRPLRQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O4S/c1-10-5-16(17(27-4)9-15(10)21)22-28(25,26)18-8-14(20)7-13-6-11(2)23(12(3)24)19(13)18/h5,7-9,11,22H,6H2,1-4H3.
What are the key properties of 1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide?
1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide has a molecular weight of 487.80 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 4085374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).