5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide

C11H14BrClN2O2S — CID 114758635

IUPAC5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1(CCCl)CC1)c1cncc(Br)c1
InChIInChI=1S/C11H14BrClN2O2S/c12-9-5-10(7-14-6-9)18(16,17)15-8-11(1-2-11)3-4-13/h5-7,15H,1-4,8H2
InChIKeyWJJMWVSBLZZRDE-UHFFFAOYSA-N
MW353.67 g/mol
LogP2.53
Rot. Bonds6

About 5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide

5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide (PubChem CID 114758635) has the molecular formula C11H14BrClN2O2S and a molecular weight of 353.67 g/mol. Its IUPAC name is 5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
PubChem CID114758635
Molecular FormulaC11H14BrClN2O2S
Molecular Weight353.67 g/mol
Exact Mass351.96
IUPAC Name5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1(CCCl)CC1)c1cncc(Br)c1
InChIInChI=1S/C11H14BrClN2O2S/c12-9-5-10(7-14-6-9)18(16,17)15-8-11(1-2-11)3-4-13/h5-7,15H,1-4,8H2
InChIKeyWJJMWVSBLZZRDE-UHFFFAOYSA-N
XLogP2.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.67
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 113313388
5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide
CID 106846555
5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide
CID 107849139
4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114758607
5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide
CID 106118270
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693
5-bromo-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 114749964
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030603
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide
CID 106288581

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide (CID 114758635) is 5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide is O=S(=O)(NCC1(CCCl)CC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide?
The InChIKey is WJJMWVSBLZZRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S/c12-9-5-10(7-14-6-9)18(16,17)15-8-11(1-2-11)3-4-13/h5-7,15H,1-4,8H2.
What are the key properties of 5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide?
5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide has a molecular weight of 353.67 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114758635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).