4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide

C25H34N2O2S — CID 68912534

IUPAC4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide
SMILESCCCN1CCCC2Cc3cc(NS(=O)(=O)c4ccc(C(C)C)cc4)ccc3CC21
InChIInChI=1S/C25H34N2O2S/c1-4-13-27-14-5-6-21-15-22-16-23(10-7-20(22)17-25(21)27)26-30(28,29)24-11-8-19(9-12-24)18(2)3/h7-12,16,18,21,25-26H,4-6,13-15,17H2,1-3H3
InChIKeySZTZRCAOXISPOE-UHFFFAOYSA-N
MW426.63 g/mol
LogP5.20
Rot. Bonds6

About 4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide

4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide (PubChem CID 68912534) has the molecular formula C25H34N2O2S and a molecular weight of 426.63 g/mol. Its IUPAC name is 4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide
PubChem CID68912534
Molecular FormulaC25H34N2O2S
Molecular Weight426.63 g/mol
Exact Mass426.23
IUPAC Name4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide
SMILESCCCN1CCCC2Cc3cc(NS(=O)(=O)c4ccc(C(C)C)cc4)ccc3CC21
InChIInChI=1S/C25H34N2O2S/c1-4-13-27-14-5-6-21-15-22-16-23(10-7-20(22)17-25(21)27)26-30(28,29)24-11-8-19(9-12-24)18(2)3/h7-12,16,18,21,25-26H,4-6,13-15,17H2,1-3H3
InChIKeySZTZRCAOXISPOE-UHFFFAOYSA-N
XLogP5.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.63
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 11596180
N-[(4aS,10aS)-1-propanoyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 68914587
N-[(4aR,10aR)-1-propanoyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 86626020
4-propan-2-yl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide
CID 16926681
5-[(4-propan-2-ylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)benzoic acid
CID 50766170
4-propan-2-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
CID 67227253
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-ylbenzenesulfonamide
CID 16943753
4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 68913990
4-[(2S)-1-fluoropropan-2-yl]-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 68912520
4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51110179
N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 141290503
4-butan-2-yl-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide
CID 16752628

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide (CID 68912534) is 4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide is CCCN1CCCC2Cc3cc(NS(=O)(=O)c4ccc(C(C)C)cc4)ccc3CC21.
What is the InChIKey of 4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide?
The InChIKey is SZTZRCAOXISPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2S/c1-4-13-27-14-5-6-21-15-22-16-23(10-7-20(22)17-25(21)27)26-30(28,29)24-11-8-19(9-12-24)18(2)3/h7-12,16,18,21,25-26H,4-6,13-15,17H2,1-3H3.
What are the key properties of 4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide?
4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide has a molecular weight of 426.63 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 68912534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).