1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride

C20H24ClN3O3S — CID 120721948

IUPAC1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCc4cc(N)ccc43)ccc21.Cl
InChIInChI=1S/C20H23N3O3S.ClH/c1-13(24)23-10-9-15-12-17(6-8-20(15)23)27(25,26)22-19-4-2-3-14-11-16(21)5-7-18(14)19;/h5-8,11-12,19,22H,2-4,9-10,21H2,1H3;1H
InChIKeyCHOIVQIFYSVHOA-UHFFFAOYSA-N
MW421.95 g/mol
LogP2.96
Rot. Bonds3

About 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride

1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride (PubChem CID 120721948) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
PubChem CID120721948
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC Name1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCc4cc(N)ccc43)ccc21.Cl
InChIInChI=1S/C20H23N3O3S.ClH/c1-13(24)23-10-9-15-12-17(6-8-20(15)23)27(25,26)22-19-4-2-3-14-11-16(21)5-7-18(14)19;/h5-8,11-12,19,22H,2-4,9-10,21H2,1H3;1H
InChIKeyCHOIVQIFYSVHOA-UHFFFAOYSA-N
XLogP2.96
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
CID 3240386
1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120722274
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361613
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722353
N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide
CID 120722247
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
CID 120722140
N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide
CID 95065907
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
1-acetyl-N-[(3R)-2-oxothiolan-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 40830687
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 120722266
1-acetyl-N-[(3S)-2-oxothiolan-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 40830688
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119964117

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride?
The IUPAC name of 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride (CID 120721948) is 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride is CC(=O)N1CCc2cc(S(=O)(=O)NC3CCCc4cc(N)ccc43)ccc21.Cl.
What is the InChIKey of 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride?
The InChIKey is CHOIVQIFYSVHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S.ClH/c1-13(24)23-10-9-15-12-17(6-8-20(15)23)27(25,26)22-19-4-2-3-14-11-16(21)5-7-18(14)19;/h5-8,11-12,19,22H,2-4,9-10,21H2,1H3;1H.
What are the key properties of 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride?
1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride has a molecular weight of 421.95 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120721948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).