N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-fluorobenzenesulfonamide

C15H13ClFNO2S2 — CID 17486985

IUPACN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCSc2ccc(Cl)cc21)c1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO2S2/c16-10-1-6-15-13(9-10)14(7-8-21-15)18-22(19,20)12-4-2-11(17)3-5-12/h1-6,9,14,18H,7-8H2
InChIKeyBGOFNYSMRYTZLQ-UHFFFAOYSA-N
MW357.86 g/mol
LogP3.99
Rot. Bonds3

About N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-fluorobenzenesulfonamide

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-fluorobenzenesulfonamide (PubChem CID 17486985) has the molecular formula C15H13ClFNO2S2 and a molecular weight of 357.86 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-fluorobenzenesulfonamide
PubChem CID17486985
Molecular FormulaC15H13ClFNO2S2
Molecular Weight357.86 g/mol
Exact Mass357.01
IUPAC NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCSc2ccc(Cl)cc21)c1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO2S2/c16-10-1-6-15-13(9-10)14(7-8-21-15)18-22(19,20)12-4-2-11(17)3-5-12/h1-6,9,14,18H,7-8H2
InChIKeyBGOFNYSMRYTZLQ-UHFFFAOYSA-N
XLogP3.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-fluorobenzenesulfonamide (CID 17486985) is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-fluorobenzenesulfonamide is O=S(=O)(NC1CCSc2ccc(Cl)cc21)c1ccc(F)cc1.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-fluorobenzenesulfonamide?
The InChIKey is BGOFNYSMRYTZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2S2/c16-10-1-6-15-13(9-10)14(7-8-21-15)18-22(19,20)12-4-2-11(17)3-5-12/h1-6,9,14,18H,7-8H2.
What are the key properties of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-fluorobenzenesulfonamide?
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-fluorobenzenesulfonamide has a molecular weight of 357.86 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 17486985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).