1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide

C20H17ClN2O4S — CID 58565725

IUPAC1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(Cl)c(O)c4ccccc34)ccc21
InChIInChI=1S/C20H17ClN2O4S/c1-12(24)23-9-8-13-10-14(6-7-19(13)23)28(26,27)22-18-11-17(21)20(25)16-5-3-2-4-15(16)18/h2-7,10-11,22,25H,8-9H2,1H3
InChIKeyPEZLZWNZFXIKBI-UHFFFAOYSA-N
MW416.89 g/mol
LogP3.91
Rot. Bonds3

About 1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 58565725) has the molecular formula C20H17ClN2O4S and a molecular weight of 416.89 g/mol. Its IUPAC name is 1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
PubChem CID58565725
Molecular FormulaC20H17ClN2O4S
Molecular Weight416.89 g/mol
Exact Mass416.06
IUPAC Name1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(Cl)c(O)c4ccccc34)ccc21
InChIInChI=1S/C20H17ClN2O4S/c1-12(24)23-9-8-13-10-14(6-7-19(13)23)28(26,27)22-18-11-17(21)20(25)16-5-3-2-4-15(16)18/h2-7,10-11,22,25H,8-9H2,1H3
InChIKeyPEZLZWNZFXIKBI-UHFFFAOYSA-N
XLogP3.91
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-(2,5-dichlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 3164268
1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 26488025
1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 2940704
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-(2-thiophen-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 17469301
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide
CID 42388549
4-tert-butyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 2398569
1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide
CID 24509991
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 24510031
1-acetyl-N-(2,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 7401545

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide (CID 58565725) is 1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(Cl)c(O)c4ccccc34)ccc21.
What is the InChIKey of 1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is PEZLZWNZFXIKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4S/c1-12(24)23-9-8-13-10-14(6-7-19(13)23)28(26,27)22-18-11-17(21)20(25)16-5-3-2-4-15(16)18/h2-7,10-11,22,25H,8-9H2,1H3.
What are the key properties of 1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 416.89 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 58565725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).