N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide

C13H11BrF2N2O2S — CID 62142695

IUPACN-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H11BrF2N2O2S/c1-17-11-4-2-3-5-12(11)21(19,20)18-13-9(14)6-8(15)7-10(13)16/h2-7,17-18H,1H3
InChIKeyDCBVULGHCOZANI-UHFFFAOYSA-N
MW377.21 g/mol
LogP3.57
Rot. Bonds4

About N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide

N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide (PubChem CID 62142695) has the molecular formula C13H11BrF2N2O2S and a molecular weight of 377.21 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide
PubChem CID62142695
Molecular FormulaC13H11BrF2N2O2S
Molecular Weight377.21 g/mol
Exact Mass375.97
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H11BrF2N2O2S/c1-17-11-4-2-3-5-12(11)21(19,20)18-13-9(14)6-8(15)7-10(13)16/h2-7,17-18H,1H3
InChIKeyDCBVULGHCOZANI-UHFFFAOYSA-N
XLogP3.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 107613420
N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 104922640
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide
CID 60661133
5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide
CID 65201956
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide
CID 75356482
N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62146722
N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide
CID 112769161
2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922632
N-(5-fluoro-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62142787
2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 62149736
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62146330
N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629170

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide (CID 62142695) is N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide is CNc1ccccc1S(=O)(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide?
The InChIKey is DCBVULGHCOZANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O2S/c1-17-11-4-2-3-5-12(11)21(19,20)18-13-9(14)6-8(15)7-10(13)16/h2-7,17-18H,1H3.
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide?
N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide has a molecular weight of 377.21 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 62142695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).