1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole

C15H11FN2O4S — CID 71493856

IUPAC1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole
SMILESCc1cn(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c2ccccc12
InChIInChI=1S/C15H11FN2O4S/c1-10-9-17(14-5-3-2-4-12(10)14)23(21,22)11-6-7-13(16)15(8-11)18(19)20/h2-9H,1H3
InChIKeyHWYUNSJHFXWATQ-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.23
Rot. Bonds3

About 1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole

1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole (PubChem CID 71493856) has the molecular formula C15H11FN2O4S and a molecular weight of 334.33 g/mol. Its IUPAC name is 1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole.

Molecular Properties

Compound Name1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole
PubChem CID71493856
Molecular FormulaC15H11FN2O4S
Molecular Weight334.33 g/mol
Exact Mass334.04
IUPAC Name1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole
SMILESCc1cn(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c2ccccc12
InChIInChI=1S/C15H11FN2O4S/c1-10-9-17(14-5-3-2-4-12(10)14)23(21,22)11-6-7-13(16)15(8-11)18(19)20/h2-9H,1H3
InChIKeyHWYUNSJHFXWATQ-UHFFFAOYSA-N
XLogP3.23
TPSA82.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-3-methylindole
CID 66853930
3-methylindole-1-sulfonic acid
CID 66799949
N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide
CID 58975171
1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine
CID 65244416
1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103357550
1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)indole
CID 101221610
N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 7939121
3-methyl-1-nitroindole
CID 67256017
1-[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263959
(3S)-1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpiperazine
CID 104976522
(3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine
CID 115301727
naphthalen-1-yl 4-fluoro-3-nitrobenzenesulfonate
CID 100820707

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole?
The IUPAC name of 1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole (CID 71493856) is 1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole.
What is the SMILES notation for 1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole?
The canonical SMILES for 1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole is Cc1cn(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c2ccccc12.
What is the InChIKey of 1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole?
The InChIKey is HWYUNSJHFXWATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O4S/c1-10-9-17(14-5-3-2-4-12(10)14)23(21,22)11-6-7-13(16)15(8-11)18(19)20/h2-9H,1H3.
What are the key properties of 1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole?
1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole has a molecular weight of 334.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole is sourced from PubChem (CID 71493856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).