1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C24H26ClN3O3S — CID 20963981

IUPAC1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCc3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2CC1C
InChIInChI=1S/C24H26ClN3O3S/c1-15-12-20(17(3)27(15)22-7-5-21(25)6-8-22)14-26-32(30,31)23-9-10-24-19(13-23)11-16(2)28(24)18(4)29/h5-10,12-13,16,26H,11,14H2,1-4H3
InChIKeyRWCLDXMHHQZXOK-UHFFFAOYSA-N
MW472.01 g/mol
LogP4.52
Rot. Bonds5

About 1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 20963981) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is 1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID20963981
Molecular FormulaC24H26ClN3O3S
Molecular Weight472.01 g/mol
Exact Mass471.14
IUPAC Name1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCc3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2CC1C
InChIInChI=1S/C24H26ClN3O3S/c1-15-12-20(17(3)27(15)22-7-5-21(25)6-8-22)14-26-32(30,31)23-9-10-24-19(13-23)11-16(2)28(24)18(4)29/h5-10,12-13,16,26H,11,14H2,1-4H3
InChIKeyRWCLDXMHHQZXOK-UHFFFAOYSA-N
XLogP4.52
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-acetyl-N-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 92750568
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
1-acetyl-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120721574
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
1-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55508757
(2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 93072300
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 46274855
1-acetyl-2-methyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 119974443
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 24791899
1-acetyl-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 53086202

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 20963981) is 1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)NCc3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2CC1C.
What is the InChIKey of 1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is RWCLDXMHHQZXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c1-15-12-20(17(3)27(15)22-7-5-21(25)6-8-22)14-26-32(30,31)23-9-10-24-19(13-23)11-16(2)28(24)18(4)29/h5-10,12-13,16,26H,11,14H2,1-4H3.
What are the key properties of 1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 472.01 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20963981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).