5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide

C11H16BrN3O2S — CID 113464137

IUPAC5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NCC1CC1C
InChIInChI=1S/C11H16BrN3O2S/c1-7-3-8(7)5-15-18(16,17)10-4-9(12)6-14-11(10)13-2/h4,6-8,15H,3,5H2,1-2H3,(H,13,14)
InChIKeyXEBLBHOZBPGBFA-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.82
Rot. Bonds5

About 5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide

5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide (PubChem CID 113464137) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
PubChem CID113464137
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC Name5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NCC1CC1C
InChIInChI=1S/C11H16BrN3O2S/c1-7-3-8(7)5-15-18(16,17)10-4-9(12)6-14-11(10)13-2/h4,6-8,15H,3,5H2,1-2H3,(H,13,14)
InChIKeyXEBLBHOZBPGBFA-UHFFFAOYSA-N
XLogP1.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-N-(2-pyridyl)benzenesulfonamide
CID 786085
N-(3-bromo-5-methylpyridin-2-yl)benzenesulfonamide
CID 2809495
N-ethyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 5267927
N,N-diisopropyl-6-(propylamino)-3-pyridinesulfonamide
CID 1741689
2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide
CID 6623748
3-(Azepan-1-ylsulfonyl)-5-bromopyridin-2-amine
CID 22515856
5-Bromo-N-tert-butylpyridine-3-sulfonamide
CID 61794951
5-Bromo-3-(4-methylpiperazin-1-ylsulfonyl)pyridin-2-amine
CID 22515880
2-amino-5-bromo-N-butyl-pyridine-3-sulfonamide
CID 22515931
2-amino-5-bromo-N-[2-(4-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 22515881
4-bromo-N-(5-methylpyridin-2-yl)benzenesulfonamide
CID 669661
N,N-diethyl-6-(propylamino)-3-pyridinesulfonamide
CID 1741687

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide (CID 113464137) is 5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)NCC1CC1C.
What is the InChIKey of 5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide?
The InChIKey is XEBLBHOZBPGBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c1-7-3-8(7)5-15-18(16,17)10-4-9(12)6-14-11(10)13-2/h4,6-8,15H,3,5H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide?
5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide has a molecular weight of 334.24 g/mol, XLogP of 1.82, 5 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-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 113464137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).