1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride

C12H13ClFNO3S — CID 83162584

IUPAC1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride
SMILESCOc1cccc2c1c(S(=O)(=O)Cl)cn2CCCF
InChIInChI=1S/C12H13ClFNO3S/c1-18-10-5-2-4-9-12(10)11(19(13,16)17)8-15(9)7-3-6-14/h2,4-5,8H,3,6-7H2,1H3
InChIKeyODZKGRSZSKSGDN-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.94
Rot. Bonds5

About 1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride

1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride (PubChem CID 83162584) has the molecular formula C12H13ClFNO3S and a molecular weight of 305.76 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride
PubChem CID83162584
Molecular FormulaC12H13ClFNO3S
Molecular Weight305.76 g/mol
Exact Mass305.03
IUPAC Name1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride
SMILESCOc1cccc2c1c(S(=O)(=O)Cl)cn2CCCF
InChIInChI=1S/C12H13ClFNO3S/c1-18-10-5-2-4-9-12(10)11(19(13,16)17)8-15(9)7-3-6-14/h2,4-5,8H,3,6-7H2,1H3
InChIKeyODZKGRSZSKSGDN-UHFFFAOYSA-N
XLogP2.94
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride?
The IUPAC name of 1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride (CID 83162584) is 1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride?
The canonical SMILES for 1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride is COc1cccc2c1c(S(=O)(=O)Cl)cn2CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride?
The InChIKey is ODZKGRSZSKSGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3S/c1-18-10-5-2-4-9-12(10)11(19(13,16)17)8-15(9)7-3-6-14/h2,4-5,8H,3,6-7H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride?
1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride has a molecular weight of 305.76 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride is sourced from PubChem (CID 83162584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).