N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-fluorobenzenesulfonamide

C17H11ClFN3O2S — CID 21362681

IUPACN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccc(F)cc1
InChIInChI=1S/C17H11ClFN3O2S/c18-10-7-14-13-5-6-20-9-16(13)21-17(14)15(8-10)22-25(23,24)12-3-1-11(19)2-4-12/h1-9,21-22H
InChIKeyXUGFIWWLPJYYDH-UHFFFAOYSA-N
MW375.81 g/mol
LogP4.31
Rot. Bonds3

About N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-fluorobenzenesulfonamide

N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-fluorobenzenesulfonamide (PubChem CID 21362681) has the molecular formula C17H11ClFN3O2S and a molecular weight of 375.81 g/mol. Its IUPAC name is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-fluorobenzenesulfonamide
PubChem CID21362681
Molecular FormulaC17H11ClFN3O2S
Molecular Weight375.81 g/mol
Exact Mass375.02
IUPAC NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccc(F)cc1
InChIInChI=1S/C17H11ClFN3O2S/c18-10-7-14-13-5-6-20-9-16(13)21-17(14)15(8-10)22-25(23,24)12-3-1-11(19)2-4-12/h1-9,21-22H
InChIKeyXUGFIWWLPJYYDH-UHFFFAOYSA-N
XLogP4.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-fluorobenzenesulfonamide (CID 21362681) is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccc(F)cc1.
What is the InChIKey of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-fluorobenzenesulfonamide?
The InChIKey is XUGFIWWLPJYYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2S/c18-10-7-14-13-5-6-20-9-16(13)21-17(14)15(8-10)22-25(23,24)12-3-1-11(19)2-4-12/h1-9,21-22H.
What are the key properties of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-fluorobenzenesulfonamide?
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-fluorobenzenesulfonamide has a molecular weight of 375.81 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 21362681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).