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

C14H12BrN3O2S — CID 106545670

IUPACN-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1cccc(Br)c1)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C14H12BrN3O2S/c1-18(10-11-4-2-5-12(15)8-11)21(19,20)14-6-3-7-17-13(14)9-16/h2-8H,10H2,1H3
InChIKeyVKVLAAGHLSXYAQ-UHFFFAOYSA-N
MW366.24 g/mol
LogP2.54
Rot. Bonds4

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

N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide (PubChem CID 106545670) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide
PubChem CID106545670
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC NameN-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1cccc(Br)c1)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C14H12BrN3O2S/c1-18(10-11-4-2-5-12(15)8-11)21(19,20)14-6-3-7-17-13(14)9-16/h2-8H,10H2,1H3
InChIKeyVKVLAAGHLSXYAQ-UHFFFAOYSA-N
XLogP2.54
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide
CID 61045073
3-[(3-bromophenyl)methyl-methylamino]pyrazine-2-carbonitrile
CID 62683505
2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide
CID 106546805
2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide
CID 100632666
2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide
CID 106545415
2-cyano-N-methoxy-N-methylpyridine-3-sulfonamide
CID 106545270
4-amino-N-[(3-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125461
N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106598661
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449
2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 106595893
2-cyano-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 106545418
2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide
CID 106595245

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide (CID 106545670) is N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide is CN(Cc1cccc(Br)c1)S(=O)(=O)c1cccnc1C#N.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide?
The InChIKey is VKVLAAGHLSXYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c1-18(10-11-4-2-5-12(15)8-11)21(19,20)14-6-3-7-17-13(14)9-16/h2-8H,10H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide?
N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide has a molecular weight of 366.24 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 106545670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).