N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide

C14H13BrClNO4S — CID 7938341

IUPACN-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C14H13BrClNO4S/c1-20-10-4-6-13(21-2)14(8-10)22(18,19)17-12-5-3-9(15)7-11(12)16/h3-8,17H,1-2H3
InChIKeyGTLQOSDIQYHCQR-UHFFFAOYSA-N
MW406.69 g/mol
LogP3.92
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide

N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 7938341) has the molecular formula C14H13BrClNO4S and a molecular weight of 406.69 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID7938341
Molecular FormulaC14H13BrClNO4S
Molecular Weight406.69 g/mol
Exact Mass404.94
IUPAC NameN-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C14H13BrClNO4S/c1-20-10-4-6-13(21-2)14(8-10)22(18,19)17-12-5-3-9(15)7-11(12)16/h3-8,17H,1-2H3
InChIKeyGTLQOSDIQYHCQR-UHFFFAOYSA-N
XLogP3.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.69
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7514398
5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 155555207
5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 74225212
N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide
CID 58565637
5-chloro-2-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 47077078
N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
CID 43605524
5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3518295
4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
CID 7939100
4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 7720378
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide (CID 7938341) is N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2Cl)c1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is GTLQOSDIQYHCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO4S/c1-20-10-4-6-13(21-2)14(8-10)22(18,19)17-12-5-3-9(15)7-11(12)16/h3-8,17H,1-2H3.
What are the key properties of N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide?
N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 406.69 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 7938341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).