5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide

C9H10BrClN2O2S — CID 61060638

IUPAC5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H10BrClN2O2S/c1-13(7-2-3-7)16(14,15)8-4-6(10)5-12-9(8)11/h4-5,7H,2-3H2,1H3
InChIKeyJGVONJAOTUMPFI-UHFFFAOYSA-N
MW325.62 g/mol
LogP2.28
Rot. Bonds3

About 5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide

5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide (PubChem CID 61060638) has the molecular formula C9H10BrClN2O2S and a molecular weight of 325.62 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide
PubChem CID61060638
Molecular FormulaC9H10BrClN2O2S
Molecular Weight325.62 g/mol
Exact Mass323.93
IUPAC Name5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H10BrClN2O2S/c1-13(7-2-3-7)16(14,15)8-4-6(10)5-12-9(8)11/h4-5,7H,2-3H2,1H3
InChIKeyJGVONJAOTUMPFI-UHFFFAOYSA-N
XLogP2.28
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-N,N-diethylpyridine-3-sulfonamide
CID 2433226
6-chloro-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 2433231
3-Bromo-2-chloro-5-(4-ethylpiperazin-1-ylsulfonyl)pyridine
CID 1034224
1-[(5-Bromo-6-chloropyridin-3-yl)sulfonyl]-4-methylpiperazine
CID 3957358
5,6-dichloro-N,N-diethyl-3-pyridinesulfonamide
CID 826913
3-Bromo-2-chloro-5-[(4-methyl-1-piperidinyl)sulfonyl]pyridine
CID 1034227
3-Bromo-2-chloro-5-[(2-methyl-1-piperidinyl)sulfonyl]pyridine
CID 3818861
2-[(5-Bromo-6-chloro-3-pyridinyl)sulfonyl]-2,5-diazabicyclo[2.2.1]heptane
CID 44427096
5-Bromopyridine-3-sulfonamide
CID 12684258
5-Bromopyridine-3-sulfonyl chloride
CID 20324474
5-Bromo-2-chloropyridine-3-sulfonyl chloride
CID 45791413
5-Bromo-N-tert-butylpyridine-3-sulfonamide
CID 61794951

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide (CID 61060638) is 5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide is CN(C1CC1)S(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide?
The InChIKey is JGVONJAOTUMPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O2S/c1-13(7-2-3-7)16(14,15)8-4-6(10)5-12-9(8)11/h4-5,7H,2-3H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide?
5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide has a molecular weight of 325.62 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 61060638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).