N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide

C13H10BrCl2NO2S — CID 107794350

IUPACN-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H10BrCl2NO2S/c1-8-4-2-3-5-11(8)20(18,19)17-10-7-6-9(14)12(15)13(10)16/h2-7,17H,1H3
InChIKeyFRORCYHVTNNLOD-UHFFFAOYSA-N
MW395.11 g/mol
LogP4.87
Rot. Bonds3

About N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide

N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide (PubChem CID 107794350) has the molecular formula C13H10BrCl2NO2S and a molecular weight of 395.11 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide
PubChem CID107794350
Molecular FormulaC13H10BrCl2NO2S
Molecular Weight395.11 g/mol
Exact Mass392.90
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H10BrCl2NO2S/c1-8-4-2-3-5-11(8)20(18,19)17-10-7-6-9(14)12(15)13(10)16/h2-7,17H,1H3
InChIKeyFRORCYHVTNNLOD-UHFFFAOYSA-N
XLogP4.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.11
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide
CID 107786884
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide
CID 107792937
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452
3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 100616708
4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide
CID 107793247
5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide
CID 106088254
N-[2-[(2-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093732
N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 107788764
3-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-2-sulfonamide
CID 107792932
5-bromo-2-[(2-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 82694519
2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid
CID 70620304
2-methyl-N-phenylbenzenesulfonamide
CID 3017048

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide (CID 107794350) is N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is FRORCYHVTNNLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2S/c1-8-4-2-3-5-11(8)20(18,19)17-10-7-6-9(14)12(15)13(10)16/h2-7,17H,1H3.
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide?
N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide has a molecular weight of 395.11 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 107794350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).