N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide

C14H14BrFN2O3S — CID 176736990

IUPACN-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(Br)cnc2OC)c(F)c1
InChIInChI=1S/C14H14BrFN2O3S/c1-3-9-4-5-13(11(16)6-9)22(19,20)18-12-7-10(15)8-17-14(12)21-2/h4-8,18H,3H2,1-2H3
InChIKeyGABAVKQCYUKNAW-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.36
Rot. Bonds5

About N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide

N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide (PubChem CID 176736990) has the molecular formula C14H14BrFN2O3S and a molecular weight of 389.25 g/mol. Its IUPAC name is N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide
PubChem CID176736990
Molecular FormulaC14H14BrFN2O3S
Molecular Weight389.25 g/mol
Exact Mass387.99
IUPAC NameN-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(Br)cnc2OC)c(F)c1
InChIInChI=1S/C14H14BrFN2O3S/c1-3-9-4-5-13(11(16)6-9)22(19,20)18-12-7-10(15)8-17-14(12)21-2/h4-8,18H,3H2,1-2H3
InChIKeyGABAVKQCYUKNAW-UHFFFAOYSA-N
XLogP3.36
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 59860226
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 90030487
N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide
CID 59859943
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 118321360
N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106020720
azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide
CID 175114352
4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 106007285
N-[5-[4-amino-3-(butylamino)phenyl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 123172493
N-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 66800685
N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 118302673
N-[5-[4-amino-3-(3-iodopropylamino)phenyl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 89304055
2,4-difluoro-N-(2-methoxy-5-pyrazolo[1,5-a]pyridin-5-yl-3-pyridinyl)benzenesulfonamide
CID 86729955

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide (CID 176736990) is N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cc(Br)cnc2OC)c(F)c1.
What is the InChIKey of N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide?
The InChIKey is GABAVKQCYUKNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O3S/c1-3-9-4-5-13(11(16)6-9)22(19,20)18-12-7-10(15)8-17-14(12)21-2/h4-8,18H,3H2,1-2H3.
What are the key properties of N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide?
N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide has a molecular weight of 389.25 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 176736990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).