N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide

C7H8BrClN2O2S — CID 130595270

IUPACN-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide
SMILESCc1cnc(Br)c(NS(=O)(=O)CCl)c1
InChIInChI=1S/C7H8BrClN2O2S/c1-5-2-6(7(8)10-3-5)11-14(12,13)4-9/h2-3,11H,4H2,1H3
InChIKeyGOVISNSRQOYOMX-UHFFFAOYSA-N
MW299.58 g/mol
LogP2.09
Rot. Bonds3

About N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide

N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide (PubChem CID 130595270) has the molecular formula C7H8BrClN2O2S and a molecular weight of 299.58 g/mol. Its IUPAC name is N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide
PubChem CID130595270
Molecular FormulaC7H8BrClN2O2S
Molecular Weight299.58 g/mol
Exact Mass297.92
IUPAC NameN-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide
SMILESCc1cnc(Br)c(NS(=O)(=O)CCl)c1
InChIInChI=1S/C7H8BrClN2O2S/c1-5-2-6(7(8)10-3-5)11-14(12,13)4-9/h2-3,11H,4H2,1H3
InChIKeyGOVISNSRQOYOMX-UHFFFAOYSA-N
XLogP2.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.58
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N,5-dimethylpyridin-3-amine
CID 130595273
2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine
CID 130595242
N-(2-bromo-5-methyl-3-pyridinyl)acetamide
CID 13467716
1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide
CID 107629601
N-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide
CID 130535524
1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide
CID 79043239
3-bromo-4-(chloromethylsulfonylamino)benzenesulfonamide
CID 63666622
N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide
CID 130595304
N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide
CID 123795564
N-(2-bromo-5-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 112750103
2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine
CID 131137663
N-(2-bromo-4-cyanophenyl)-1-chloromethanesulfonamide
CID 63666621

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide?
The IUPAC name of N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide (CID 130595270) is N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide.
What is the SMILES notation for N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide?
The canonical SMILES for N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide is Cc1cnc(Br)c(NS(=O)(=O)CCl)c1.
What is the InChIKey of N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide?
The InChIKey is GOVISNSRQOYOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2O2S/c1-5-2-6(7(8)10-3-5)11-14(12,13)4-9/h2-3,11H,4H2,1H3.
What are the key properties of N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide?
N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide has a molecular weight of 299.58 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide is sourced from PubChem (CID 130595270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).