N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide

C14H11BrN2O3S — CID 61061898

IUPACN-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H11BrN2O3S/c1-20-13-7-6-11(15)8-12(13)17-21(18,19)14-5-3-2-4-10(14)9-16/h2-8,17H,1H3
InChIKeyUIYPRXDAAHJVNQ-UHFFFAOYSA-N
MW367.22 g/mol
LogP3.13
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide

N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide (PubChem CID 61061898) has the molecular formula C14H11BrN2O3S and a molecular weight of 367.22 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
PubChem CID61061898
Molecular FormulaC14H11BrN2O3S
Molecular Weight367.22 g/mol
Exact Mass365.97
IUPAC NameN-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H11BrN2O3S/c1-20-13-7-6-11(15)8-12(13)17-21(18,19)14-5-3-2-4-10(14)9-16/h2-8,17H,1H3
InChIKeyUIYPRXDAAHJVNQ-UHFFFAOYSA-N
XLogP3.13
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 9330046
N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47310958
2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
CID 110776899
2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide
CID 110777916
2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide
CID 110777228
N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 110758865
5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide
CID 8513690
N-(2-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757600
N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 60533343
2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 110756477
N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide
CID 2824579
N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide
CID 43550675

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide (CID 61061898) is N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide is COc1ccc(Br)cc1NS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide?
The InChIKey is UIYPRXDAAHJVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3S/c1-20-13-7-6-11(15)8-12(13)17-21(18,19)14-5-3-2-4-10(14)9-16/h2-8,17H,1H3.
What are the key properties of N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide?
N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide has a molecular weight of 367.22 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide is sourced from PubChem (CID 61061898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).