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

C11H11BrN2O2S — CID 107796761

IUPACN-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CC2CC2)c(Br)c1
InChIInChI=1S/C11H11BrN2O2S/c12-10-5-9(6-13)3-4-11(10)14-17(15,16)7-8-1-2-8/h3-5,8,14H,1-2,7H2
InChIKeyLURKUPGVTNZDKU-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.47
Rot. Bonds4

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

N-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide (PubChem CID 107796761) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide
PubChem CID107796761
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC NameN-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CC2CC2)c(Br)c1
InChIInChI=1S/C11H11BrN2O2S/c12-10-5-9(6-13)3-4-11(10)14-17(15,16)7-8-1-2-8/h3-5,8,14H,1-2,7H2
InChIKeyLURKUPGVTNZDKU-UHFFFAOYSA-N
XLogP2.47
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4-cyanophenyl)-1-chloromethanesulfonamide
CID 63666621
N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide
CID 103580550
N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
CID 103580549
N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide
CID 61454090
N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide
CID 107796662
N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide
CID 64593313
3-bromo-4-[(3-ethylcyclopentyl)amino]benzonitrile
CID 64502119
N-(2-bromo-4-cyanophenyl)-1-cyanopropane-1-sulfonamide
CID 114001914
N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide
CID 65482001
3-bromo-4-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]benzonitrile
CID 103865872
1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide
CID 114002396
2-[(2-bromo-4-cyanophenyl)sulfamoyl]propanoic acid
CID 54947598

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide (CID 107796761) is N-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide is N#Cc1ccc(NS(=O)(=O)CC2CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide?
The InChIKey is LURKUPGVTNZDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c12-10-5-9(6-13)3-4-11(10)14-17(15,16)7-8-1-2-8/h3-5,8,14H,1-2,7H2.
What are the key properties of N-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide?
N-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide has a molecular weight of 315.19 g/mol, XLogP of 2.47, 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-cyclopropylmethanesulfonamide is sourced from PubChem (CID 107796761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).