N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide

C13H12BrClN2O2S — CID 61045073

IUPACN-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1cccc(Br)c1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H12BrClN2O2S/c1-17(9-10-4-2-5-11(14)8-10)20(18,19)12-6-3-7-16-13(12)15/h2-8H,9H2,1H3
InChIKeyRMFPMLSMGVWWEX-UHFFFAOYSA-N
MW375.68 g/mol
LogP3.32
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide

N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide (PubChem CID 61045073) has the molecular formula C13H12BrClN2O2S and a molecular weight of 375.68 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide
PubChem CID61045073
Molecular FormulaC13H12BrClN2O2S
Molecular Weight375.68 g/mol
Exact Mass373.95
IUPAC NameN-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1cccc(Br)c1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H12BrClN2O2S/c1-17(9-10-4-2-5-11(14)8-10)20(18,19)12-6-3-7-16-13(12)15/h2-8H,9H2,1H3
InChIKeyRMFPMLSMGVWWEX-UHFFFAOYSA-N
XLogP3.32
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61047622
N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide
CID 106545670
2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 43564507
2-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-sulfonamide
CID 61052637
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61067284
4-amino-N-[(3-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125461
2-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
CID 64517471
2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61052630
2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
CID 43456976
2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 112698550
2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 61060458
2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61217796

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide (CID 61045073) is N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide is CN(Cc1cccc(Br)c1)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide?
The InChIKey is RMFPMLSMGVWWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2S/c1-17(9-10-4-2-5-11(14)8-10)20(18,19)12-6-3-7-16-13(12)15/h2-8H,9H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide?
N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide has a molecular weight of 375.68 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 61045073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).