1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxycarbazol-3-yl]ethanone

C21H17NO5S — CID 10894541

IUPAC1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxycarbazol-3-yl]ethanone
SMILESCOc1ccc2c(c1)c1c(O)c(C(C)=O)ccc1n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17NO5S/c1-13(23)16-9-11-19-20(21(16)24)17-12-14(27-2)8-10-18(17)22(19)28(25,26)15-6-4-3-5-7-15/h3-12,24H,1-2H3
InChIKeyYQNNZLCEQVNCKC-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.95
Rot. Bonds4

About 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxycarbazol-3-yl]ethanone

1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxycarbazol-3-yl]ethanone (PubChem CID 10894541) has the molecular formula C21H17NO5S and a molecular weight of 395.44 g/mol. Its IUPAC name is 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxycarbazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxycarbazol-3-yl]ethanone
PubChem CID10894541
Molecular FormulaC21H17NO5S
Molecular Weight395.44 g/mol
Exact Mass395.08
IUPAC Name1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxycarbazol-3-yl]ethanone
SMILESCOc1ccc2c(c1)c1c(O)c(C(C)=O)ccc1n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17NO5S/c1-13(23)16-9-11-19-20(21(16)24)17-12-14(27-2)8-10-18(17)22(19)28(25,26)15-6-4-3-5-7-15/h3-12,24H,1-2H3
InChIKeyYQNNZLCEQVNCKC-UHFFFAOYSA-N
XLogP3.95
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-Benzenesulfonyl-2-(3-methoxybenzoyl)-1H-indol-5-yl]-Nhydroxyacrylamide
CID 17756405
[1-(Benzenesulfonyl)-5-hydroxyindol-2-yl]-(4-phenoxyphenyl)methanone
CID 53323697
4-[1-(Benzenesulfonyl)-5-methoxyindol-2-yl]butanoic acid
CID 137631818
7-Phenylsulfonyl-7H-benzofurano[2,3-b]carbazole
CID 53349722
[1-(Benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone
CID 10927700
[1-(Benzenesulfonyl)-5-methoxyindol-2-yl]-(2-fluorophenyl)methanone
CID 11080077
[1-(Benzenesulfonyl)-5-methoxyindol-2-yl]-(2,6-difluorophenyl)methanone
CID 11112747
(2-Hydroxy-4-methoxyphenyl)[2-methyl-1-[(4-methylphenyl)sulfonyl]-6-(trifluoromethoxy)-1H-indol-3-yl]methanone
CID 18438954
[1-(Benzenesulfonyl)indol-2-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone
CID 69976416
3-[[1-(3-Tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]methyl]-2-methoxybenzoic acid
CID 70662916
2-Methoxy-4-[[1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]methyl]benzoic acid
CID 70662957
4-[[1-(3-Tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]methyl]-2-methoxybenzoic acid
CID 70663018

Frequently Asked Questions

What is the IUPAC name of 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxycarbazol-3-yl]ethanone?
The IUPAC name of 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxycarbazol-3-yl]ethanone (CID 10894541) is 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxycarbazol-3-yl]ethanone.
What is the SMILES notation for 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxycarbazol-3-yl]ethanone?
The canonical SMILES for 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxycarbazol-3-yl]ethanone is COc1ccc2c(c1)c1c(O)c(C(C)=O)ccc1n2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxycarbazol-3-yl]ethanone?
The InChIKey is YQNNZLCEQVNCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5S/c1-13(23)16-9-11-19-20(21(16)24)17-12-14(27-2)8-10-18(17)22(19)28(25,26)15-6-4-3-5-7-15/h3-12,24H,1-2H3.
What are the key properties of 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxycarbazol-3-yl]ethanone?
1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxycarbazol-3-yl]ethanone has a molecular weight of 395.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxycarbazol-3-yl]ethanone is sourced from PubChem (CID 10894541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).