N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide

C10H15BrN2O2S — CID 103907877

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)CC(C)C
InChIInChI=1S/C10H15BrN2O2S/c1-7(2)6-16(14,15)13-9-4-5-10(11)12-8(9)3/h4-5,7,13H,6H2,1-3H3
InChIKeyQWJFYCBAPPRTDD-UHFFFAOYSA-N
MW307.21 g/mol
LogP2.55
Rot. Bonds4

About N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide

N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide (PubChem CID 103907877) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide
PubChem CID103907877
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)CC(C)C
InChIInChI=1S/C10H15BrN2O2S/c1-7(2)6-16(14,15)13-9-4-5-10(11)12-8(9)3/h4-5,7,13H,6H2,1-3H3
InChIKeyQWJFYCBAPPRTDD-UHFFFAOYSA-N
XLogP2.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 52.55
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 N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide (CID 103907877) is N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide is Cc1nc(Br)ccc1NS(=O)(=O)CC(C)C.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide?
The InChIKey is QWJFYCBAPPRTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-7(2)6-16(14,15)13-9-4-5-10(11)12-8(9)3/h4-5,7,13H,6H2,1-3H3.
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide?
N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide has a molecular weight of 307.21 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 103907877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).