2-bromo-5-(dipropylsulfamoylamino)-3-methylpyridine

C12H20BrN3O2S — CID 113381034

IUPAC2-bromo-5-(dipropylsulfamoylamino)-3-methylpyridine
SMILESCCCN(CCC)S(=O)(=O)Nc1cnc(Br)c(C)c1
InChIInChI=1S/C12H20BrN3O2S/c1-4-6-16(7-5-2)19(17,18)15-11-8-10(3)12(13)14-9-11/h8-9,15H,4-7H2,1-3H3
InChIKeyZKLZYQMPCGHNLY-UHFFFAOYSA-N
MW350.28 g/mol
LogP2.93
Rot. Bonds7

About 2-bromo-5-(dipropylsulfamoylamino)-3-methylpyridine

2-bromo-5-(dipropylsulfamoylamino)-3-methylpyridine (PubChem CID 113381034) has the molecular formula C12H20BrN3O2S and a molecular weight of 350.28 g/mol. Its IUPAC name is 2-bromo-5-(dipropylsulfamoylamino)-3-methylpyridine.

Molecular Properties

Compound Name2-bromo-5-(dipropylsulfamoylamino)-3-methylpyridine
PubChem CID113381034
Molecular FormulaC12H20BrN3O2S
Molecular Weight350.28 g/mol
Exact Mass349.05
IUPAC Name2-bromo-5-(dipropylsulfamoylamino)-3-methylpyridine
SMILESCCCN(CCC)S(=O)(=O)Nc1cnc(Br)c(C)c1
InChIInChI=1S/C12H20BrN3O2S/c1-4-6-16(7-5-2)19(17,18)15-11-8-10(3)12(13)14-9-11/h8-9,15H,4-7H2,1-3H3
InChIKeyZKLZYQMPCGHNLY-UHFFFAOYSA-N
XLogP2.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(dipropylsulfamoylamino)-3-methylpyridine?
The IUPAC name of 2-bromo-5-(dipropylsulfamoylamino)-3-methylpyridine (CID 113381034) is 2-bromo-5-(dipropylsulfamoylamino)-3-methylpyridine.
What is the SMILES notation for 2-bromo-5-(dipropylsulfamoylamino)-3-methylpyridine?
The canonical SMILES for 2-bromo-5-(dipropylsulfamoylamino)-3-methylpyridine is CCCN(CCC)S(=O)(=O)Nc1cnc(Br)c(C)c1.
What is the InChIKey of 2-bromo-5-(dipropylsulfamoylamino)-3-methylpyridine?
The InChIKey is ZKLZYQMPCGHNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O2S/c1-4-6-16(7-5-2)19(17,18)15-11-8-10(3)12(13)14-9-11/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 2-bromo-5-(dipropylsulfamoylamino)-3-methylpyridine?
2-bromo-5-(dipropylsulfamoylamino)-3-methylpyridine has a molecular weight of 350.28 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(dipropylsulfamoylamino)-3-methylpyridine is sourced from PubChem (CID 113381034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).