3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide

C20H22N2O3S — CID 20921810

IUPAC3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)NC3CCCc4ccccc43)cc21
InChIInChI=1S/C20H22N2O3S/c1-20(2)16-12-14(10-11-18(16)21-19(20)23)26(24,25)22-17-9-5-7-13-6-3-4-8-15(13)17/h3-4,6,8,10-12,17,22H,5,7,9H2,1-2H3,(H,21,23)
InChIKeyHBSUYUOMWBLIEB-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.27
Rot. Bonds3

About 3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide

3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide (PubChem CID 20921810) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide
PubChem CID20921810
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)NC3CCCc4ccccc43)cc21
InChIInChI=1S/C20H22N2O3S/c1-20(2)16-12-14(10-11-18(16)21-19(20)23)26(24,25)22-17-9-5-7-13-6-3-4-8-15(13)17/h3-4,6,8,10-12,17,22H,5,7,9H2,1-2H3,(H,21,23)
InChIKeyHBSUYUOMWBLIEB-UHFFFAOYSA-N
XLogP3.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777909
3-bromo-4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43916531
3-bromo-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 30325571
4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20927745
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4779685
methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate
CID 133235599
N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
CID 583390
4-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43876005
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384518
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361613
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
CID 3240386

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide?
The IUPAC name of 3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide (CID 20921810) is 3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide?
The canonical SMILES for 3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide is CC1(C)C(=O)Nc2ccc(S(=O)(=O)NC3CCCc4ccccc43)cc21.
What is the InChIKey of 3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide?
The InChIKey is HBSUYUOMWBLIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-20(2)16-12-14(10-11-18(16)21-19(20)23)26(24,25)22-17-9-5-7-13-6-3-4-8-15(13)17/h3-4,6,8,10-12,17,22H,5,7,9H2,1-2H3,(H,21,23).
What are the key properties of 3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide?
3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 20921810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).