5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide

C12H16BrClN2O3S — CID 60779783

IUPAC5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCOCC1CC1)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H16BrClN2O3S/c13-10-6-11(12(14)15-7-10)20(17,18)16-4-1-5-19-8-9-2-3-9/h6-7,9,16H,1-5,8H2
InChIKeyFIQXUPPPDHNHHQ-UHFFFAOYSA-N
MW383.70 g/mol
LogP2.59
Rot. Bonds8

About 5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide

5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide (PubChem CID 60779783) has the molecular formula C12H16BrClN2O3S and a molecular weight of 383.70 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide
PubChem CID60779783
Molecular FormulaC12H16BrClN2O3S
Molecular Weight383.70 g/mol
Exact Mass381.98
IUPAC Name5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCOCC1CC1)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H16BrClN2O3S/c13-10-6-11(12(14)15-7-10)20(17,18)16-4-1-5-19-8-9-2-3-9/h6-7,9,16H,1-5,8H2
InChIKeyFIQXUPPPDHNHHQ-UHFFFAOYSA-N
XLogP2.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide
CID 61072193
5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 63494942
5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 61301034
5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63318055
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide
CID 39624570
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 61060719
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide
CID 61059689
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 115604204
5-bromo-2-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-sulfonamide
CID 60779869
5-bromo-2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61059517
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide (CID 60779783) is 5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide is O=S(=O)(NCCCOCC1CC1)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide?
The InChIKey is FIQXUPPPDHNHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O3S/c13-10-6-11(12(14)15-7-10)20(17,18)16-4-1-5-19-8-9-2-3-9/h6-7,9,16H,1-5,8H2.
What are the key properties of 5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide?
5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide has a molecular weight of 383.70 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 60779783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).