N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide

C14H11BrN2O2S — CID 103580549

IUPACN-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(Br)c1
InChIInChI=1S/C14H11BrN2O2S/c15-13-8-12(9-16)6-7-14(13)17-20(18,19)10-11-4-2-1-3-5-11/h1-8,17H,10H2
InChIKeyNJZSHNMKRCYNRE-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.26
Rot. Bonds4

About N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide

N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide (PubChem CID 103580549) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
PubChem CID103580549
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC NameN-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(Br)c1
InChIInChI=1S/C14H11BrN2O2S/c15-13-8-12(9-16)6-7-14(13)17-20(18,19)10-11-4-2-1-3-5-11/h1-8,17H,10H2
InChIKeyNJZSHNMKRCYNRE-UHFFFAOYSA-N
XLogP3.26
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-cyanophenyl)-1-chloromethanesulfonamide
CID 63666621
N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide
CID 28939221
N-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide
CID 107796761
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide
CID 107796662
N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 43237000
N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide
CID 65482001
N-(2-bromo-4-cyanophenyl)-1-cyanopropane-1-sulfonamide
CID 114001914
1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide
CID 29275128
N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide
CID 64593313
1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide
CID 60681030
1-(4-cyanophenyl)-N-(2-fluorophenyl)methanesulfonamide
CID 29298688

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide (CID 103580549) is N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide is N#Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide?
The InChIKey is NJZSHNMKRCYNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c15-13-8-12(9-16)6-7-14(13)17-20(18,19)10-11-4-2-1-3-5-11/h1-8,17H,10H2.
What are the key properties of N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide?
N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide has a molecular weight of 351.23 g/mol, XLogP of 3.26, 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)-1-phenylmethanesulfonamide is sourced from PubChem (CID 103580549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).