5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide

C13H20BrN3O2S — CID 62855898

IUPAC5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N(C)CC1CCC1
InChIInChI=1S/C13H20BrN3O2S/c1-3-15-13-12(7-11(14)8-16-13)20(18,19)17(2)9-10-5-4-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyQZLABPRJEOHJSD-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.70
Rot. Bonds6

About 5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide

5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide (PubChem CID 62855898) has the molecular formula C13H20BrN3O2S and a molecular weight of 362.29 g/mol. Its IUPAC name is 5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
PubChem CID62855898
Molecular FormulaC13H20BrN3O2S
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC Name5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N(C)CC1CCC1
InChIInChI=1S/C13H20BrN3O2S/c1-3-15-13-12(7-11(14)8-16-13)20(18,19)17(2)9-10-5-4-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyQZLABPRJEOHJSD-UHFFFAOYSA-N
XLogP2.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide (CID 62855898) is 5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)N(C)CC1CCC1.
What is the InChIKey of 5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide?
The InChIKey is QZLABPRJEOHJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S/c1-3-15-13-12(7-11(14)8-16-13)20(18,19)17(2)9-10-5-4-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide?
5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide has a molecular weight of 362.29 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 62855898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).