2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide

C13H10BrCl2NO3S — CID 50876952

IUPAC2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br
InChIInChI=1S/C13H10BrCl2NO3S/c1-20-12-5-3-2-4-11(12)17-21(18,19)13-7-10(16)9(15)6-8(13)14/h2-7,17H,1H3
InChIKeyFXCCLWTVZCBOPZ-UHFFFAOYSA-N
MW411.10 g/mol
LogP4.57
Rot. Bonds4

About 2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide

2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 50876952) has the molecular formula C13H10BrCl2NO3S and a molecular weight of 411.10 g/mol. Its IUPAC name is 2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID50876952
Molecular FormulaC13H10BrCl2NO3S
Molecular Weight411.10 g/mol
Exact Mass408.89
IUPAC Name2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br
InChIInChI=1S/C13H10BrCl2NO3S/c1-20-12-5-3-2-4-11(12)17-21(18,19)13-7-10(16)9(15)6-8(13)14/h2-7,17H,1H3
InChIKeyFXCCLWTVZCBOPZ-UHFFFAOYSA-N
XLogP4.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.10
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 35506490
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658176
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide
CID 112773648
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 106491308
2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 1258973
N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104436
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 9267445
3-amino-5-chloro-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 103050320

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide (CID 50876952) is 2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br.
What is the InChIKey of 2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is FXCCLWTVZCBOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO3S/c1-20-12-5-3-2-4-11(12)17-21(18,19)13-7-10(16)9(15)6-8(13)14/h2-7,17H,1H3.
What are the key properties of 2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide?
2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 411.10 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 50876952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).