4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide

C14H14FN3O2S2 — CID 124628545

IUPAC4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide
SMILESCc1cnc([C@@H](C)NS(=O)(=O)c2c[nH]c3cccc(F)c23)s1
InChIInChI=1S/C14H14FN3O2S2/c1-8-6-17-14(21-8)9(2)18-22(19,20)12-7-16-11-5-3-4-10(15)13(11)12/h3-7,9,16,18H,1-2H3/t9-/m1/s1
InChIKeyUQPOWUQKIGFDNO-SECBINFHSA-N
MW339.42 g/mol
LogP3.11
Rot. Bonds4

About 4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide

4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide (PubChem CID 124628545) has the molecular formula C14H14FN3O2S2 and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide
PubChem CID124628545
Molecular FormulaC14H14FN3O2S2
Molecular Weight339.42 g/mol
Exact Mass339.05
IUPAC Name4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide
SMILESCc1cnc([C@@H](C)NS(=O)(=O)c2c[nH]c3cccc(F)c23)s1
InChIInChI=1S/C14H14FN3O2S2/c1-8-6-17-14(21-8)9(2)18-22(19,20)12-7-16-11-5-3-4-10(15)13(11)12/h3-7,9,16,18H,1-2H3/t9-/m1/s1
InChIKeyUQPOWUQKIGFDNO-SECBINFHSA-N
XLogP3.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide?
The IUPAC name of 4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide (CID 124628545) is 4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide?
The canonical SMILES for 4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide is Cc1cnc([C@@H](C)NS(=O)(=O)c2c[nH]c3cccc(F)c23)s1.
What is the InChIKey of 4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide?
The InChIKey is UQPOWUQKIGFDNO-SECBINFHSA-N. The full InChI is InChI=1S/C14H14FN3O2S2/c1-8-6-17-14(21-8)9(2)18-22(19,20)12-7-16-11-5-3-4-10(15)13(11)12/h3-7,9,16,18H,1-2H3/t9-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide?
4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 124628545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).