9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole

C30H23NO2S — CID 14594824

IUPAC9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole
SMILESO=S(=O)(c1ccccc1)n1c2ccccc2c2cc(CCc3ccc4ccccc4c3)ccc21
InChIInChI=1S/C30H23NO2S/c32-34(33,26-10-2-1-3-11-26)31-29-13-7-6-12-27(29)28-21-23(17-19-30(28)31)15-14-22-16-18-24-8-4-5-9-25(24)20-22/h1-13,16-21H,14-15H2
InChIKeyWKMXWHOFCSXGDZ-UHFFFAOYSA-N
MW461.59 g/mol
LogP6.97
Rot. Bonds5

About 9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole

9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole (PubChem CID 14594824) has the molecular formula C30H23NO2S and a molecular weight of 461.59 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole.

Molecular Properties

Compound Name9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole
PubChem CID14594824
Molecular FormulaC30H23NO2S
Molecular Weight461.59 g/mol
Exact Mass461.14
IUPAC Name9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole
SMILESO=S(=O)(c1ccccc1)n1c2ccccc2c2cc(CCc3ccc4ccccc4c3)ccc21
InChIInChI=1S/C30H23NO2S/c32-34(33,26-10-2-1-3-11-26)31-29-13-7-6-12-27(29)28-21-23(17-19-30(28)31)15-14-22-16-18-24-8-4-5-9-25(24)20-22/h1-13,16-21H,14-15H2
InChIKeyWKMXWHOFCSXGDZ-UHFFFAOYSA-N
XLogP6.97
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.59
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine
CID 58514526
9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole
CID 102475949
13,18-bis-(4-methylphenyl)sulfonyl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene
CID 177415197
9-(benzenesulfonyl)-4-methylcarbazole
CID 14594808
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-2-ylmethanamine
CID 164792573
CID 88588324
CID 88588324
ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate
CID 102400135
1-(benzenesulfonyl)-3-iodo-2-methylindole
CID 11538519
1-(benzenesulfonyl)-2-chloro-3-ethylindole
CID 14416105
9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366921

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole?
The IUPAC name of 9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole (CID 14594824) is 9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole.
What is the SMILES notation for 9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole?
The canonical SMILES for 9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole is O=S(=O)(c1ccccc1)n1c2ccccc2c2cc(CCc3ccc4ccccc4c3)ccc21.
What is the InChIKey of 9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole?
The InChIKey is WKMXWHOFCSXGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23NO2S/c32-34(33,26-10-2-1-3-11-26)31-29-13-7-6-12-27(29)28-21-23(17-19-30(28)31)15-14-22-16-18-24-8-4-5-9-25(24)20-22/h1-13,16-21H,14-15H2.
What are the key properties of 9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole?
9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole has a molecular weight of 461.59 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole is sourced from PubChem (CID 14594824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).