N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide

C14H10Br2N2O2S — CID 65482001

IUPACN-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)c(Br)c1
InChIInChI=1S/C14H10Br2N2O2S/c15-8-10-1-4-12(5-2-10)21(19,20)18-14-6-3-11(9-17)7-13(14)16/h1-7,18H,8H2
InChIKeyGEAIHTBGQJRVSC-UHFFFAOYSA-N
MW430.12 g/mol
LogP4.02
Rot. Bonds4

About N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide

N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide (PubChem CID 65482001) has the molecular formula C14H10Br2N2O2S and a molecular weight of 430.12 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide
PubChem CID65482001
Molecular FormulaC14H10Br2N2O2S
Molecular Weight430.12 g/mol
Exact Mass427.88
IUPAC NameN-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)c(Br)c1
InChIInChI=1S/C14H10Br2N2O2S/c15-8-10-1-4-12(5-2-10)21(19,20)18-14-6-3-11(9-17)7-13(14)16/h1-7,18H,8H2
InChIKeyGEAIHTBGQJRVSC-UHFFFAOYSA-N
XLogP4.02
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.12
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide
CID 107793382
N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide
CID 3852570
4-amino-N-(2-bromo-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107796855
N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide
CID 103278188
4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide
CID 65480204
N-(2-bromo-4-cyanophenyl)-1-chloromethanesulfonamide
CID 63666621
N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
CID 103580549
N-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide
CID 71852673
N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide
CID 107792813
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
CID 82694174
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646
N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide
CID 64593313

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide (CID 65482001) is N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide?
The InChIKey is GEAIHTBGQJRVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O2S/c15-8-10-1-4-12(5-2-10)21(19,20)18-14-6-3-11(9-17)7-13(14)16/h1-7,18H,8H2.
What are the key properties of N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide?
N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide has a molecular weight of 430.12 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide is sourced from PubChem (CID 65482001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).