5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide

C14H24BrN3O2S — CID 103464359

IUPAC5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)NCC(C)(C)CC
InChIInChI=1S/C14H24BrN3O2S/c1-5-7-16-13-12(8-11(15)9-17-13)21(19,20)18-10-14(3,4)6-2/h8-9,18H,5-7,10H2,1-4H3,(H,16,17)
InChIKeyWAYZNNAIWPCWAQ-UHFFFAOYSA-N
MW378.34 g/mol
LogP3.38
Rot. Bonds8

About 5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide

5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 103464359) has the molecular formula C14H24BrN3O2S and a molecular weight of 378.34 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide
PubChem CID103464359
Molecular FormulaC14H24BrN3O2S
Molecular Weight378.34 g/mol
Exact Mass377.08
IUPAC Name5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)NCC(C)(C)CC
InChIInChI=1S/C14H24BrN3O2S/c1-5-7-16-13-12(8-11(15)9-17-13)21(19,20)18-10-14(3,4)6-2/h8-9,18H,5-7,10H2,1-4H3,(H,16,17)
InChIKeyWAYZNNAIWPCWAQ-UHFFFAOYSA-N
XLogP3.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide (CID 103464359) is 5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncc(Br)cc1S(=O)(=O)NCC(C)(C)CC.
What is the InChIKey of 5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is WAYZNNAIWPCWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O2S/c1-5-7-16-13-12(8-11(15)9-17-13)21(19,20)18-10-14(3,4)6-2/h8-9,18H,5-7,10H2,1-4H3,(H,16,17).
What are the key properties of 5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide?
5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 378.34 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 103464359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).