5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide

C13H17FN2O3S — CID 113437296

IUPAC5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide
SMILESCOCCCCn1cc(S(N)(=O)=O)c2cc(F)ccc21
InChIInChI=1S/C13H17FN2O3S/c1-19-7-3-2-6-16-9-13(20(15,17)18)11-8-10(14)4-5-12(11)16/h4-5,8-9H,2-3,6-7H2,1H3,(H2,15,17,18)
InChIKeySLXMQPMBYFGYEI-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.85
Rot. Bonds6

About 5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide

5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide (PubChem CID 113437296) has the molecular formula C13H17FN2O3S and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide
PubChem CID113437296
Molecular FormulaC13H17FN2O3S
Molecular Weight300.36 g/mol
Exact Mass300.09
IUPAC Name5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide
SMILESCOCCCCn1cc(S(N)(=O)=O)c2cc(F)ccc21
InChIInChI=1S/C13H17FN2O3S/c1-19-7-3-2-6-16-9-13(20(15,17)18)11-8-10(14)4-5-12(11)16/h4-5,8-9H,2-3,6-7H2,1H3,(H2,15,17,18)
InChIKeySLXMQPMBYFGYEI-UHFFFAOYSA-N
XLogP1.85
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(Phenylsulfonyl)-1H-indole
CID 315017
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
n1-(4-Aminobenzenesulfonyl)skatole
CID 10356663
N-benzenesulfonylgramine antagonist, 8
CID 11723168
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
N-arenesulfonylindole antagonist, 10
CID 44263491
1-(4-Fluoro-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 9924959
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole
CID 11372738
(R)-3-(1-methyl-2-pyrrolidinylmethyl)-1-phenylsulfonylindole
CID 11624561
1-(4-Fluorobenzenesulfonyl)-3-(4-methylpiperazin-1-yl)-1h-indole
CID 23624297
4-[5-Fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine
CID 44388943
4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide
CID 4625387

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide?
The IUPAC name of 5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide (CID 113437296) is 5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide.
What is the SMILES notation for 5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide?
The canonical SMILES for 5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide is COCCCCn1cc(S(N)(=O)=O)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide?
The InChIKey is SLXMQPMBYFGYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-19-7-3-2-6-16-9-13(20(15,17)18)11-8-10(14)4-5-12(11)16/h4-5,8-9H,2-3,6-7H2,1H3,(H2,15,17,18).
What are the key properties of 5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide?
5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide has a molecular weight of 300.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide is sourced from PubChem (CID 113437296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).