5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine

C14H22BrN3O2S — CID 63626897

IUPAC5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N1CCCC(C)CC1
InChIInChI=1S/C14H22BrN3O2S/c1-3-16-14-13(9-12(15)10-17-14)21(19,20)18-7-4-5-11(2)6-8-18/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyPAXQBXQVJDUZHB-UHFFFAOYSA-N
MW376.32 g/mol
LogP3.09
Rot. Bonds4

About 5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine

5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine (PubChem CID 63626897) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
PubChem CID63626897
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N1CCCC(C)CC1
InChIInChI=1S/C14H22BrN3O2S/c1-3-16-14-13(9-12(15)10-17-14)21(19,20)18-7-4-5-11(2)6-8-18/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyPAXQBXQVJDUZHB-UHFFFAOYSA-N
XLogP3.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-5-methylpyridin-2-yl)benzenesulfonamide
CID 2809495
2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide
CID 6623748
3-(Azepan-1-ylsulfonyl)-5-bromopyridin-2-amine
CID 22515856
N-(5-Bromo-pyridin-2-yl)-4-ethyl-benzenesulfonamide
CID 766689
5-Bromo-3-(4-methylpiperazin-1-ylsulfonyl)pyridin-2-amine
CID 22515880
2-amino-5-bromo-N-butyl-pyridine-3-sulfonamide
CID 22515931
2-amino-5-bromo-N-[2-(4-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 22515881
4-bromo-N-(5-methylpyridin-2-yl)benzenesulfonamide
CID 669661
N,N-diethyl-6-(propylamino)-3-pyridinesulfonamide
CID 1741687
N-(3-bromo-5-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide
CID 2810825
2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide
CID 22515840
2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide
CID 22515902

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine (CID 63626897) is 5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine is CCNc1ncc(Br)cc1S(=O)(=O)N1CCCC(C)CC1.
What is the InChIKey of 5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine?
The InChIKey is PAXQBXQVJDUZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-3-16-14-13(9-12(15)10-17-14)21(19,20)18-7-4-5-11(2)6-8-18/h9-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine?
5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine has a molecular weight of 376.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 63626897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).