N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide

C11H8BrClFN3O2S — CID 105399568

IUPACN-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESNc1cnc(NS(=O)(=O)c2cc(F)ccc2Cl)c(Br)c1
InChIInChI=1S/C11H8BrClFN3O2S/c12-8-4-7(15)5-16-11(8)17-20(18,19)10-3-6(14)1-2-9(10)13/h1-5H,15H2,(H,16,17)
InChIKeyRBCXKDGEHFQHHO-UHFFFAOYSA-N
MW380.63 g/mol
LogP3.02
Rot. Bonds3

About N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide

N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 105399568) has the molecular formula C11H8BrClFN3O2S and a molecular weight of 380.63 g/mol. Its IUPAC name is N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID105399568
Molecular FormulaC11H8BrClFN3O2S
Molecular Weight380.63 g/mol
Exact Mass378.92
IUPAC NameN-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESNc1cnc(NS(=O)(=O)c2cc(F)ccc2Cl)c(Br)c1
InChIInChI=1S/C11H8BrClFN3O2S/c12-8-4-7(15)5-16-11(8)17-20(18,19)10-3-6(14)1-2-9(10)13/h1-5H,15H2,(H,16,17)
InChIKeyRBCXKDGEHFQHHO-UHFFFAOYSA-N
XLogP3.02
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399526
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115731782
N-(3-bromo-5-fluoro-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 110504689
N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399595
N-(5-amino-3-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 115910815
N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399440
N-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81320241
2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259716
N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 107334204
N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115649180
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide (CID 105399568) is N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide is Nc1cnc(NS(=O)(=O)c2cc(F)ccc2Cl)c(Br)c1.
What is the InChIKey of N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is RBCXKDGEHFQHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3O2S/c12-8-4-7(15)5-16-11(8)17-20(18,19)10-3-6(14)1-2-9(10)13/h1-5H,15H2,(H,16,17).
What are the key properties of N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 380.63 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105399568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).