N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide

C13H10BrCl2NO2S — CID 3842755

IUPACN-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10BrCl2NO2S/c14-10-3-1-9(2-4-10)8-17-20(18,19)13-6-5-11(15)7-12(13)16/h1-7,17H,8H2
InChIKeyGEHGURRHLZYNIX-UHFFFAOYSA-N
MW395.11 g/mol
LogP4.23
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide

N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide (PubChem CID 3842755) has the molecular formula C13H10BrCl2NO2S and a molecular weight of 395.11 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide
PubChem CID3842755
Molecular FormulaC13H10BrCl2NO2S
Molecular Weight395.11 g/mol
Exact Mass392.90
IUPAC NameN-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10BrCl2NO2S/c14-10-3-1-9(2-4-10)8-17-20(18,19)13-6-5-11(15)7-12(13)16/h1-7,17H,8H2
InChIKeyGEHGURRHLZYNIX-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.11
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
CID 81095097
N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide
CID 61401064
2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3332822
2-amino-5-bromo-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 60986118
4-bromo-N-[[3-(bromomethyl)phenyl]methyl]-2-chlorobenzenesulfonamide
CID 114298024
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 51888410
3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 21227266
N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538
N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide
CID 81094378
2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide
CID 3710216
2,4-dichloro-N-(2-oxoethyl)benzenesulfonamide
CID 143489858

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide (CID 3842755) is N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide is O=S(=O)(NCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide?
The InChIKey is GEHGURRHLZYNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2S/c14-10-3-1-9(2-4-10)8-17-20(18,19)13-6-5-11(15)7-12(13)16/h1-7,17H,8H2.
What are the key properties of N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide?
N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide has a molecular weight of 395.11 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 3842755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).