N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide

C13H10BrClFNO2S — CID 115610877

IUPACN-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Br)c1cc(F)ccc1Cl
InChIInChI=1S/C13H10BrClFNO2S/c14-11-4-2-1-3-9(11)8-17-20(18,19)13-7-10(16)5-6-12(13)15/h1-7,17H,8H2
InChIKeyMURYJEIHUNJGLR-UHFFFAOYSA-N
MW378.65 g/mol
LogP3.72
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide

N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 115610877) has the molecular formula C13H10BrClFNO2S and a molecular weight of 378.65 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
PubChem CID115610877
Molecular FormulaC13H10BrClFNO2S
Molecular Weight378.65 g/mol
Exact Mass376.93
IUPAC NameN-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Br)c1cc(F)ccc1Cl
InChIInChI=1S/C13H10BrClFNO2S/c14-11-4-2-1-3-9(11)8-17-20(18,19)13-7-10(16)5-6-12(13)15/h1-7,17H,8H2
InChIKeyMURYJEIHUNJGLR-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3673714
N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105399556
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide
CID 106051903
N-[(2-bromophenyl)methyl]-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088278
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400700
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
N-[(3-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 75509038
2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386170
N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400004
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide (CID 115610877) is N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide is O=S(=O)(NCc1ccccc1Br)c1cc(F)ccc1Cl.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is MURYJEIHUNJGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO2S/c14-11-4-2-1-3-9(11)8-17-20(18,19)13-7-10(16)5-6-12(13)15/h1-7,17H,8H2.
What are the key properties of N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide?
N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 378.65 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 115610877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).