5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide

C12H19BrN4O3S — CID 114950111

IUPAC5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C12H19BrN4O3S/c1-17(8-12(18)4-2-3-5-12)21(19,20)10-6-9(13)7-15-11(10)16-14/h6-7,18H,2-5,8,14H2,1H3,(H,15,16)
InChIKeySDOPQOYWFFOYRV-UHFFFAOYSA-N
MW379.28 g/mol
LogP1.06
Rot. Bonds5

About 5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide

5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide (PubChem CID 114950111) has the molecular formula C12H19BrN4O3S and a molecular weight of 379.28 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide
PubChem CID114950111
Molecular FormulaC12H19BrN4O3S
Molecular Weight379.28 g/mol
Exact Mass378.04
IUPAC Name5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C12H19BrN4O3S/c1-17(8-12(18)4-2-3-5-12)21(19,20)10-6-9(13)7-15-11(10)16-14/h6-7,18H,2-5,8,14H2,1H3,(H,15,16)
InChIKeySDOPQOYWFFOYRV-UHFFFAOYSA-N
XLogP1.06
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 61299704
5-bromo-2-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 61606773
5-bromo-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 61606902
5-bromo-2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
CID 65536950
5-bromo-N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 107480748
5-bromo-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107480758
5-bromo-N-(2,2-difluoroethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 116315699
2-Amino-5-bromo-N-(2-hydroxy-2-methylpropyl)-3-pyridinesulfonamide
CID 66820296
2-(6-bromo-1,1-dioxo-3H-thiadiazolo[4,5-b]pyridin-2-yl)ethanol
CID 89591954
2-amino-5-bromo-N-(2-hydroxy-5-methylhexyl)pyridine-3-sulfonamide
CID 174644055
5-bromo-N-(2-cyanoethyl)-N-ethyl-2-hydrazinylpyridine-3-sulfonamide
CID 54988456
5-bromo-N-(2-cyanopropyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 54991011

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide (CID 114950111) is 5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide is CN(CC1(O)CCCC1)S(=O)(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is SDOPQOYWFFOYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O3S/c1-17(8-12(18)4-2-3-5-12)21(19,20)10-6-9(13)7-15-11(10)16-14/h6-7,18H,2-5,8,14H2,1H3,(H,15,16).
What are the key properties of 5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide?
5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 379.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 114950111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).