5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide

C14H22BrN3O2S — CID 63473639

IUPAC5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NCCC1CCCCC1
InChIInChI=1S/C14H22BrN3O2S/c1-16-14-13(9-12(15)10-17-14)21(19,20)18-8-7-11-5-3-2-4-6-11/h9-11,18H,2-8H2,1H3,(H,16,17)
InChIKeyPBCYQRHZTDSWJG-UHFFFAOYSA-N
MW376.32 g/mol
LogP3.13
Rot. Bonds6

About 5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide

5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 63473639) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID63473639
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NCCC1CCCCC1
InChIInChI=1S/C14H22BrN3O2S/c1-16-14-13(9-12(15)10-17-14)21(19,20)18-8-7-11-5-3-2-4-6-11/h9-11,18H,2-8H2,1H3,(H,16,17)
InChIKeyPBCYQRHZTDSWJG-UHFFFAOYSA-N
XLogP3.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 55043938
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CID 64600883
5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 113464137
5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide
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5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
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2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
CID 62149019
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5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
CID 114046501
5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
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5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
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5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide (CID 63473639) is 5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)NCCC1CCCCC1.
What is the InChIKey of 5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is PBCYQRHZTDSWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-16-14-13(9-12(15)10-17-14)21(19,20)18-8-7-11-5-3-2-4-6-11/h9-11,18H,2-8H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide?
5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 376.32 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 63473639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).