9-(benzenesulfonyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydrocarbazole

C30H30N2O2S — CID 57315853

IUPAC9-(benzenesulfonyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydrocarbazole
SMILESO=S(=O)(c1ccccc1)n1c2c(c3ccccc31)CC(CN1CC=C(c3ccccc3)CC1)CC2
InChIInChI=1S/C30H30N2O2S/c33-35(34,26-11-5-2-6-12-26)32-29-14-8-7-13-27(29)28-21-23(15-16-30(28)32)22-31-19-17-25(18-20-31)24-9-3-1-4-10-24/h1-14,17,23H,15-16,18-22H2
InChIKeyQJAUPQRONCTGJE-UHFFFAOYSA-N
MW482.65 g/mol
LogP5.77
Rot. Bonds5

About 9-(benzenesulfonyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydrocarbazole

9-(benzenesulfonyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydrocarbazole (PubChem CID 57315853) has the molecular formula C30H30N2O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name9-(benzenesulfonyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydrocarbazole
PubChem CID57315853
Molecular FormulaC30H30N2O2S
Molecular Weight482.65 g/mol
Exact Mass482.20
IUPAC Name9-(benzenesulfonyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydrocarbazole
SMILESO=S(=O)(c1ccccc1)n1c2c(c3ccccc31)CC(CN1CC=C(c3ccccc3)CC1)CC2
InChIInChI=1S/C30H30N2O2S/c33-35(34,26-11-5-2-6-12-26)32-29-14-8-7-13-27(29)28-21-23(15-16-30(28)32)22-31-19-17-25(18-20-31)24-9-3-1-4-10-24/h1-14,17,23H,15-16,18-22H2
InChIKeyQJAUPQRONCTGJE-UHFFFAOYSA-N
XLogP5.77
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.65
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole
CID 13491216
9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride
CID 73348100
1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 15185952
2-[1-(2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol
CID 57238465
2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one
CID 10015917
(5Z)-8-(benzenesulfonyl)-3-[(2Z)-2-(iodomethylidene)butyl]-1,2,4,7-tetrahydroazonino[5,4-b]indole
CID 53235762
6-(4-fluorophenyl)sulfonyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
CID 44567981
2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 132600980
(12bR)-12-(4-methylphenyl)sulfonyl-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-2-one
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1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine
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Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 9-(benzenesulfonyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydrocarbazole (CID 57315853) is 9-(benzenesulfonyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 9-(benzenesulfonyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 9-(benzenesulfonyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydrocarbazole is O=S(=O)(c1ccccc1)n1c2c(c3ccccc31)CC(CN1CC=C(c3ccccc3)CC1)CC2.
What is the InChIKey of 9-(benzenesulfonyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydrocarbazole?
The InChIKey is QJAUPQRONCTGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O2S/c33-35(34,26-11-5-2-6-12-26)32-29-14-8-7-13-27(29)28-21-23(15-16-30(28)32)22-31-19-17-25(18-20-31)24-9-3-1-4-10-24/h1-14,17,23H,15-16,18-22H2.
What are the key properties of 9-(benzenesulfonyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydrocarbazole?
9-(benzenesulfonyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydrocarbazole has a molecular weight of 482.65 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 57315853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).