N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide

C11H10BrN3O2S — CID 63063291

IUPACN-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide
SMILESNc1cnccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H10BrN3O2S/c12-8-1-3-9(4-2-8)18(16,17)15-11-5-6-14-7-10(11)13/h1-7H,13H2,(H,14,15)
InChIKeyYGLMJHKELWNCPE-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.23
Rot. Bonds3

About N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide

N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide (PubChem CID 63063291) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide
PubChem CID63063291
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC NameN-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide
SMILESNc1cnccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H10BrN3O2S/c12-8-1-3-9(4-2-8)18(16,17)15-11-5-6-14-7-10(11)13/h1-7H,13H2,(H,14,15)
InChIKeyYGLMJHKELWNCPE-UHFFFAOYSA-N
XLogP2.23
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63062265
N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527254
N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide
CID 62099632
4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669666
4-amino-N-(3-bromo-4-pyridinyl)-3-fluorobenzenesulfonamide
CID 82844736
4-bromo-N-pyrazin-2-ylbenzenesulfonamide
CID 22772873
N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43344070
N-(3-amino-4-pyridinyl)-2-chlorobenzenesulfonamide
CID 55147770
3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 114379639
4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
N-(3-amino-4-pyridinyl)-3-fluoropyridine-2-sulfonamide
CID 103298603
N-(3-amino-4-pyridinyl)piperidine-1-sulfonamide
CID 63063461

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide (CID 63063291) is N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide is Nc1cnccc1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide?
The InChIKey is YGLMJHKELWNCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c12-8-1-3-9(4-2-8)18(16,17)15-11-5-6-14-7-10(11)13/h1-7H,13H2,(H,14,15).
What are the key properties of N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide?
N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide has a molecular weight of 328.19 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide is sourced from PubChem (CID 63063291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).