1-benzylsulfonyl-9H-carbazole

C19H15NO2S — CID 140983404

IUPAC1-benzylsulfonyl-9H-carbazole
SMILESO=S(=O)(Cc1ccccc1)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C19H15NO2S/c21-23(22,13-14-7-2-1-3-8-14)18-12-6-10-16-15-9-4-5-11-17(15)20-19(16)18/h1-12,20H,13H2
InChIKeyTZZMGLYUMQYNTD-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.30
Rot. Bonds3

About 1-benzylsulfonyl-9H-carbazole

1-benzylsulfonyl-9H-carbazole (PubChem CID 140983404) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-benzylsulfonyl-9H-carbazole.

Molecular Properties

Compound Name1-benzylsulfonyl-9H-carbazole
PubChem CID140983404
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Name1-benzylsulfonyl-9H-carbazole
SMILESO=S(=O)(Cc1ccccc1)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C19H15NO2S/c21-23(22,13-14-7-2-1-3-8-14)18-12-6-10-16-15-9-4-5-11-17(15)20-19(16)18/h1-12,20H,13H2
InChIKeyTZZMGLYUMQYNTD-UHFFFAOYSA-N
XLogP4.30
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9H-carbazole-1-sulfonamide
CID 18617392
1-(9H-carbazol-1-yl)-3-phenylpropan-1-one
CID 2793732
ethyl 9H-carbazol-1-ylmethanesulfonate
CID 174896621
(9H-carbazol-1-yl-hydrazinyl-methyl-λ4-sulfanyl)methanethial
CID 175445758
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
benzyl(9H-carbazol-1-yl)carbamothioic S-acid
CID 23169616
9H-carbazol-1-ylmethanol
CID 10987211
2-(2-benzylsulfonylphenyl)pyridine
CID 102281426
9H-carbazole;sulfuryl dichloride
CID 158008992
1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole
CID 174714913
3-benzylsulfonylbenzene-1,2-dicarbonitrile
CID 141298423
9H-carbazole-1-carbaldehyde
CID 11745551

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-9H-carbazole?
The IUPAC name of 1-benzylsulfonyl-9H-carbazole (CID 140983404) is 1-benzylsulfonyl-9H-carbazole.
What is the SMILES notation for 1-benzylsulfonyl-9H-carbazole?
The canonical SMILES for 1-benzylsulfonyl-9H-carbazole is O=S(=O)(Cc1ccccc1)c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-benzylsulfonyl-9H-carbazole?
The InChIKey is TZZMGLYUMQYNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S/c21-23(22,13-14-7-2-1-3-8-14)18-12-6-10-16-15-9-4-5-11-17(15)20-19(16)18/h1-12,20H,13H2.
What are the key properties of 1-benzylsulfonyl-9H-carbazole?
1-benzylsulfonyl-9H-carbazole has a molecular weight of 321.40 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-9H-carbazole is sourced from PubChem (CID 140983404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).