4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride

C12H10ClFN4O2S — CID 107051983

IUPAC4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride
SMILESCn1cc(Cn2cc(S(=O)(=O)Cl)c3c(F)cccc32)nn1
InChIInChI=1S/C12H10ClFN4O2S/c1-17-5-8(15-16-17)6-18-7-11(21(13,19)20)12-9(14)3-2-4-10(12)18/h2-5,7H,6H2,1H3
InChIKeyUFLCUUNOGKLTNI-UHFFFAOYSA-N
MW328.76 g/mol
LogP1.88
Rot. Bonds3

About 4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride

4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride (PubChem CID 107051983) has the molecular formula C12H10ClFN4O2S and a molecular weight of 328.76 g/mol. Its IUPAC name is 4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride
PubChem CID107051983
Molecular FormulaC12H10ClFN4O2S
Molecular Weight328.76 g/mol
Exact Mass328.02
IUPAC Name4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride
SMILESCn1cc(Cn2cc(S(=O)(=O)Cl)c3c(F)cccc32)nn1
InChIInChI=1S/C12H10ClFN4O2S/c1-17-5-8(15-16-17)6-18-7-11(21(13,19)20)12-9(14)3-2-4-10(12)18/h2-5,7H,6H2,1H3
InChIKeyUFLCUUNOGKLTNI-UHFFFAOYSA-N
XLogP1.88
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride?
The IUPAC name of 4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride (CID 107051983) is 4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride.
What is the SMILES notation for 4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride?
The canonical SMILES for 4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride is Cn1cc(Cn2cc(S(=O)(=O)Cl)c3c(F)cccc32)nn1.
What is the InChIKey of 4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride?
The InChIKey is UFLCUUNOGKLTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN4O2S/c1-17-5-8(15-16-17)6-18-7-11(21(13,19)20)12-9(14)3-2-4-10(12)18/h2-5,7H,6H2,1H3.
What are the key properties of 4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride?
4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride has a molecular weight of 328.76 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride is sourced from PubChem (CID 107051983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).