3-chloro-2-cyano-4-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)benzenesulfonamide

C16H12ClF2N3O2S — CID 156859374

IUPAC3-chloro-2-cyano-4-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)benzenesulfonamide
SMILESN#Cc1c(S(N)(=O)=O)ccc(N2CCCc3cc(F)cc(F)c32)c1Cl
InChIInChI=1S/C16H12ClF2N3O2S/c17-15-11(8-20)14(25(21,23)24)4-3-13(15)22-5-1-2-9-6-10(18)7-12(19)16(9)22/h3-4,6-7H,1-2,5H2,(H2,21,23,24)
InChIKeyMGUVARNIBIQSMM-UHFFFAOYSA-N
MW383.81 g/mol
LogP3.22
Rot. Bonds2

About 3-chloro-2-cyano-4-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)benzenesulfonamide

3-chloro-2-cyano-4-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)benzenesulfonamide (PubChem CID 156859374) has the molecular formula C16H12ClF2N3O2S and a molecular weight of 383.81 g/mol. Its IUPAC name is 3-chloro-2-cyano-4-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-cyano-4-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)benzenesulfonamide
PubChem CID156859374
Molecular FormulaC16H12ClF2N3O2S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC Name3-chloro-2-cyano-4-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)benzenesulfonamide
SMILESN#Cc1c(S(N)(=O)=O)ccc(N2CCCc3cc(F)cc(F)c32)c1Cl
InChIInChI=1S/C16H12ClF2N3O2S/c17-15-11(8-20)14(25(21,23)24)4-3-13(15)22-5-1-2-9-6-10(18)7-12(19)16(9)22/h3-4,6-7H,1-2,5H2,(H2,21,23,24)
InChIKeyMGUVARNIBIQSMM-UHFFFAOYSA-N
XLogP3.22
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-cyano-4-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-cyano-4-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)benzenesulfonamide (CID 156859374) is 3-chloro-2-cyano-4-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-cyano-4-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-cyano-4-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)benzenesulfonamide is N#Cc1c(S(N)(=O)=O)ccc(N2CCCc3cc(F)cc(F)c32)c1Cl.
What is the InChIKey of 3-chloro-2-cyano-4-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)benzenesulfonamide?
The InChIKey is MGUVARNIBIQSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O2S/c17-15-11(8-20)14(25(21,23)24)4-3-13(15)22-5-1-2-9-6-10(18)7-12(19)16(9)22/h3-4,6-7H,1-2,5H2,(H2,21,23,24).
What are the key properties of 3-chloro-2-cyano-4-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)benzenesulfonamide?
3-chloro-2-cyano-4-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)benzenesulfonamide has a molecular weight of 383.81 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-cyano-4-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)benzenesulfonamide is sourced from PubChem (CID 156859374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).