5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide

C13H20BrN3O3S — CID 62152814

IUPAC5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)N(CCO)C1CC1
InChIInChI=1S/C13H20BrN3O3S/c1-2-5-15-13-12(8-10(14)9-16-13)21(19,20)17(6-7-18)11-3-4-11/h8-9,11,18H,2-7H2,1H3,(H,15,16)
InChIKeyBEMOORRETPJMJI-UHFFFAOYSA-N
MW378.29 g/mol
LogP1.81
Rot. Bonds8

About 5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide

5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 62152814) has the molecular formula C13H20BrN3O3S and a molecular weight of 378.29 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide
PubChem CID62152814
Molecular FormulaC13H20BrN3O3S
Molecular Weight378.29 g/mol
Exact Mass377.04
IUPAC Name5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)N(CCO)C1CC1
InChIInChI=1S/C13H20BrN3O3S/c1-2-5-15-13-12(8-10(14)9-16-13)21(19,20)17(6-7-18)11-3-4-11/h8-9,11,18H,2-7H2,1H3,(H,15,16)
InChIKeyBEMOORRETPJMJI-UHFFFAOYSA-N
XLogP1.81
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 54995023
5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 62157132
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide
CID 62157146
5-bromo-N-butyl-2-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 62159278
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide
CID 62145502
5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 79377760
5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 62336097
5-bromo-N-methyl-N-(2-methylbutan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 63963344
5-bromo-N,N-bis(cyanomethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62164035
N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide
CID 62151572
N-cyclopropyl-N-propyl-2-(propylamino)pyridine-3-sulfonamide
CID 62144651
5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61300273

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide (CID 62152814) is 5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncc(Br)cc1S(=O)(=O)N(CCO)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is BEMOORRETPJMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3S/c1-2-5-15-13-12(8-10(14)9-16-13)21(19,20)17(6-7-18)11-3-4-11/h8-9,11,18H,2-7H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide?
5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 378.29 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62152814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).