4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide

C19H16FN3O3S — CID 170621321

IUPAC4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide
SMILESCOc1cc(F)c2c(c1)c1ncccc1n2Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H16FN3O3S/c1-26-13-9-15-18-17(3-2-8-22-18)23(19(15)16(20)10-13)11-12-4-6-14(7-5-12)27(21,24)25/h2-10H,11H2,1H3,(H2,21,24,25)
InChIKeyDIVPSSPOMWJUJG-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.03
Rot. Bonds4

About 4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide

4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide (PubChem CID 170621321) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide
PubChem CID170621321
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide
SMILESCOc1cc(F)c2c(c1)c1ncccc1n2Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H16FN3O3S/c1-26-13-9-15-18-17(3-2-8-22-18)23(19(15)16(20)10-13)11-12-4-6-14(7-5-12)27(21,24)25/h2-10H,11H2,1H3,(H2,21,24,25)
InChIKeyDIVPSSPOMWJUJG-UHFFFAOYSA-N
XLogP3.03
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide (CID 170621321) is 4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide is COc1cc(F)c2c(c1)c1ncccc1n2Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide?
The InChIKey is DIVPSSPOMWJUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-26-13-9-15-18-17(3-2-8-22-18)23(19(15)16(20)10-13)11-12-4-6-14(7-5-12)27(21,24)25/h2-10H,11H2,1H3,(H2,21,24,25).
What are the key properties of 4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide?
4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide has a molecular weight of 385.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-8-methoxypyrido[3,2-b]indol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 170621321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).