2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide

C11H16BrN3O2S — CID 22515840

IUPAC2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C11H16BrN3O2S/c12-8-6-10(11(13)14-7-8)18(16,17)15-9-4-2-1-3-5-9/h6-7,9,15H,1-5H2,(H2,13,14)
InChIKeyPILDEFXPWISGOJ-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.04
Rot. Bonds3

About 2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide

2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide (PubChem CID 22515840) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide
PubChem CID22515840
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC Name2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C11H16BrN3O2S/c12-8-6-10(11(13)14-7-8)18(16,17)15-9-4-2-1-3-5-9/h6-7,9,15H,1-5H2,(H2,13,14)
InChIKeyPILDEFXPWISGOJ-UHFFFAOYSA-N
XLogP2.04
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide (CID 22515840) is 2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide is Nc1ncc(Br)cc1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of 2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide?
The InChIKey is PILDEFXPWISGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c12-8-6-10(11(13)14-7-8)18(16,17)15-9-4-2-1-3-5-9/h6-7,9,15H,1-5H2,(H2,13,14).
What are the key properties of 2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide?
2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide has a molecular weight of 334.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide is sourced from PubChem (CID 22515840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).