5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide

C14H24BrN3O2S — CID 102907912

IUPAC5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C14H24BrN3O2S/c1-9(2)12(10(3)4)8-18-21(19,20)13-6-11(15)7-17-14(13)16-5/h6-7,9-10,12,18H,8H2,1-5H3,(H,16,17)
InChIKeyCTJUWVSVXRYZMY-UHFFFAOYSA-N
MW378.34 g/mol
LogP3.09
Rot. Bonds7

About 5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide

5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide (PubChem CID 102907912) has the molecular formula C14H24BrN3O2S and a molecular weight of 378.34 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
PubChem CID102907912
Molecular FormulaC14H24BrN3O2S
Molecular Weight378.34 g/mol
Exact Mass377.08
IUPAC Name5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C14H24BrN3O2S/c1-9(2)12(10(3)4)8-18-21(19,20)13-6-11(15)7-17-14(13)16-5/h6-7,9-10,12,18H,8H2,1-5H3,(H,16,17)
InChIKeyCTJUWVSVXRYZMY-UHFFFAOYSA-N
XLogP3.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102906621
5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953
5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 55043938
5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 79558831
2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
CID 62149019
5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 113464137
2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347101
5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 63473639
5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63295582
5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106283477
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
CID 78966663
5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143306

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide (CID 102907912) is 5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of 5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide?
The InChIKey is CTJUWVSVXRYZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O2S/c1-9(2)12(10(3)4)8-18-21(19,20)13-6-11(15)7-17-14(13)16-5/h6-7,9-10,12,18H,8H2,1-5H3,(H,16,17).
What are the key properties of 5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide?
5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide has a molecular weight of 378.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 102907912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).