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

C21H26ClN3O3S — CID 120722274

IUPAC1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
SMILESCC(=O)N1c2ccc(S(=O)(=O)NC3CCCc4cc(N)ccc43)cc2CC1C.Cl
InChIInChI=1S/C21H25N3O3S.ClH/c1-13-10-16-12-18(7-9-21(16)24(13)14(2)25)28(26,27)23-20-5-3-4-15-11-17(22)6-8-19(15)20;/h6-9,11-13,20,23H,3-5,10,22H2,1-2H3;1H
InChIKeyKMIXGAIDUMGAIN-UHFFFAOYSA-N
MW435.98 g/mol
LogP3.34
Rot. Bonds3

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

1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride (PubChem CID 120722274) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
PubChem CID120722274
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC Name1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
SMILESCC(=O)N1c2ccc(S(=O)(=O)NC3CCCc4cc(N)ccc43)cc2CC1C.Cl
InChIInChI=1S/C21H25N3O3S.ClH/c1-13-10-16-12-18(7-9-21(16)24(13)14(2)25)28(26,27)23-20-5-3-4-15-11-17(22)6-8-19(15)20;/h6-9,11-13,20,23H,3-5,10,22H2,1-2H3;1H
InChIKeyKMIXGAIDUMGAIN-UHFFFAOYSA-N
XLogP3.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 53.34
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-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120721948
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
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92687874
1-acetyl-N-[2-(aminomethyl)cyclopentyl]-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119985860
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 120722266
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
CID 3240386
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)-3-methyl-4-nitrobenzenesulfonamide
CID 120721988
N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 43055164

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride?
The IUPAC name of 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride (CID 120722274) is 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-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-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride is CC(=O)N1c2ccc(S(=O)(=O)NC3CCCc4cc(N)ccc43)cc2CC1C.Cl.
What is the InChIKey of 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride?
The InChIKey is KMIXGAIDUMGAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S.ClH/c1-13-10-16-12-18(7-9-21(16)24(13)14(2)25)28(26,27)23-20-5-3-4-15-11-17(22)6-8-19(15)20;/h6-9,11-13,20,23H,3-5,10,22H2,1-2H3;1H.
What are the key properties of 1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride?
1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride has a molecular weight of 435.98 g/mol, XLogP of 3.34, 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-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120722274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).