N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C24H22N2O2S — CID 46331649

IUPACN-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H22N2O2S/c27-29(28,22-14-11-17-5-1-2-6-19(17)15-22)26-21-12-9-18(10-13-21)24-16-20-7-3-4-8-23(20)25-24/h3-4,7-16,25-26H,1-2,5-6H2
InChIKeyXGGNHGGUNLEZEY-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.51
Rot. Bonds4

About N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 46331649) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID46331649
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC NameN-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H22N2O2S/c27-29(28,22-14-11-17-5-1-2-6-19(17)15-22)26-21-12-9-18(10-13-21)24-16-20-7-3-4-8-23(20)25-24/h3-4,7-16,25-26H,1-2,5-6H2
InChIKeyXGGNHGGUNLEZEY-UHFFFAOYSA-N
XLogP5.51
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 46331654
N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 46331635
N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 84512971
4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide
CID 46331701
N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 46331646
N-(6-oxo-1H-pyridin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110724962
4-(1H-indol-2-yl)-N-methylaniline
CID 116995134
4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
CID 58015357
N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110724306
[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
CID 33488490
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110281086
N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide
CID 69471636

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 46331649) is N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is XGGNHGGUNLEZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c27-29(28,22-14-11-17-5-1-2-6-19(17)15-22)26-21-12-9-18(10-13-21)24-16-20-7-3-4-8-23(20)25-24/h3-4,7-16,25-26H,1-2,5-6H2.
What are the key properties of N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 402.52 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 46331649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).