2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide

C21H18N2O3S — CID 167420896

IUPAC2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NC3CCCc4ccccc43)c3cccc1c23
InChIInChI=1S/C21H18N2O3S/c24-21-16-9-4-8-15-19(12-11-18(22-21)20(15)16)27(25,26)23-17-10-3-6-13-5-1-2-7-14(13)17/h1-2,4-5,7-9,11-12,17,23H,3,6,10H2,(H,22,24)
InChIKeySHRMIQBQEUIKSH-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.76
Rot. Bonds3

About 2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide

2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 167420896) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide
PubChem CID167420896
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NC3CCCc4ccccc43)c3cccc1c23
InChIInChI=1S/C21H18N2O3S/c24-21-16-9-4-8-15-19(12-11-18(22-21)20(15)16)27(25,26)23-17-10-3-6-13-5-1-2-7-14(13)17/h1-2,4-5,7-9,11-12,17,23H,3,6,10H2,(H,22,24)
InChIKeySHRMIQBQEUIKSH-UHFFFAOYSA-N
XLogP3.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide
CID 22582458
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-sulfonamide
CID 102692407
3,3-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-5-sulfonamide
CID 20921810
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 166228985
4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20927745
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide
CID 28561014
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide
CID 60724039

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of 2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide (CID 167420896) is 2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)NC3CCCc4ccccc43)c3cccc1c23.
What is the InChIKey of 2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is SHRMIQBQEUIKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c24-21-16-9-4-8-15-19(12-11-18(22-21)20(15)16)27(25,26)23-17-10-3-6-13-5-1-2-7-14(13)17/h1-2,4-5,7-9,11-12,17,23H,3,6,10H2,(H,22,24).
What are the key properties of 2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide?
2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 378.45 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 167420896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).