5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride

C14H17ClFNO2S — CID 82695785

IUPAC5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride
SMILESCCCC(C)Cn1cc(S(=O)(=O)Cl)c2cc(F)ccc21
InChIInChI=1S/C14H17ClFNO2S/c1-3-4-10(2)8-17-9-14(20(15,18)19)12-7-11(16)5-6-13(12)17/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyKNIRIFDDJFEMOX-UHFFFAOYSA-N
MW317.81 g/mol
LogP4.14
Rot. Bonds5

About 5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride

5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride (PubChem CID 82695785) has the molecular formula C14H17ClFNO2S and a molecular weight of 317.81 g/mol. Its IUPAC name is 5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride
PubChem CID82695785
Molecular FormulaC14H17ClFNO2S
Molecular Weight317.81 g/mol
Exact Mass317.07
IUPAC Name5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride
SMILESCCCC(C)Cn1cc(S(=O)(=O)Cl)c2cc(F)ccc21
InChIInChI=1S/C14H17ClFNO2S/c1-3-4-10(2)8-17-9-14(20(15,18)19)12-7-11(16)5-6-13(12)17/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyKNIRIFDDJFEMOX-UHFFFAOYSA-N
XLogP4.14
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride?
The IUPAC name of 5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride (CID 82695785) is 5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride.
What is the SMILES notation for 5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride?
The canonical SMILES for 5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride is CCCC(C)Cn1cc(S(=O)(=O)Cl)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride?
The InChIKey is KNIRIFDDJFEMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2S/c1-3-4-10(2)8-17-9-14(20(15,18)19)12-7-11(16)5-6-13(12)17/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride?
5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride has a molecular weight of 317.81 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride is sourced from PubChem (CID 82695785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).