5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide

C10H13BrN2O3S — CID 113313388

IUPAC5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1(CO)CC1)c1cncc(Br)c1
InChIInChI=1S/C10H13BrN2O3S/c11-8-3-9(5-12-4-8)17(15,16)13-6-10(7-14)1-2-10/h3-5,13-14H,1-2,6-7H2
InChIKeyFRZQCNFORYOTPD-UHFFFAOYSA-N
MW321.20 g/mol
LogP0.89
Rot. Bonds5

About 5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide

5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide (PubChem CID 113313388) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is 5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
PubChem CID113313388
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1(CO)CC1)c1cncc(Br)c1
InChIInChI=1S/C10H13BrN2O3S/c11-8-3-9(5-12-4-8)17(15,16)13-6-10(7-14)1-2-10/h3-5,13-14H,1-2,6-7H2
InChIKeyFRZQCNFORYOTPD-UHFFFAOYSA-N
XLogP0.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 114758635
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 113313207
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide
CID 106299114
5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107319453
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 115455389
5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115455427
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693
5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide
CID 113431359
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide
CID 106846555

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide (CID 113313388) is 5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide is O=S(=O)(NCC1(CO)CC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide?
The InChIKey is FRZQCNFORYOTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c11-8-3-9(5-12-4-8)17(15,16)13-6-10(7-14)1-2-10/h3-5,13-14H,1-2,6-7H2.
What are the key properties of 5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide?
5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide has a molecular weight of 321.20 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 113313388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).