3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid

C12H15BrN2O4S — CID 63042579

IUPAC3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NS(=O)(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C12H15BrN2O4S/c13-9-5-11(7-14-6-9)20(18,19)15-10-3-1-2-8(4-10)12(16)17/h5-8,10,15H,1-4H2,(H,16,17)
InChIKeyTZULIQMJYQDQRT-UHFFFAOYSA-N
MW363.23 g/mol
LogP1.77
Rot. Bonds4

About 3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid

3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 63042579) has the molecular formula C12H15BrN2O4S and a molecular weight of 363.23 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID63042579
Molecular FormulaC12H15BrN2O4S
Molecular Weight363.23 g/mol
Exact Mass361.99
IUPAC Name3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NS(=O)(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C12H15BrN2O4S/c13-9-5-11(7-14-6-9)20(18,19)15-10-3-1-2-8(4-10)12(16)17/h5-8,10,15H,1-4H2,(H,16,17)
InChIKeyTZULIQMJYQDQRT-UHFFFAOYSA-N
XLogP1.77
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55145962
3-(benzenesulfonamido)cyclohexane-1-carboxylic acid
CID 55145960
3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63043849
3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63044386
5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide
CID 103697980
N-cyclohexyl-5-hydroxypyridine-3-sulfonamide
CID 165437606
3-[(2,6-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63042404
3-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63044572
5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide
CID 113249327
4-[(3-bromophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809051
3-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030564
5-bromo-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 62094279

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 63042579) is 3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(NS(=O)(=O)c2cncc(Br)c2)C1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is TZULIQMJYQDQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4S/c13-9-5-11(7-14-6-9)20(18,19)15-10-3-1-2-8(4-10)12(16)17/h5-8,10,15H,1-4H2,(H,16,17).
What are the key properties of 3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid?
3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 363.23 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).