N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide

C18H19BrN2O2S — CID 60540003

IUPACN-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide
SMILESCCCN(C(C)c1ccccc1Br)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H19BrN2O2S/c1-3-12-21(14(2)17-6-4-5-7-18(17)19)24(22,23)16-10-8-15(13-20)9-11-16/h4-11,14H,3,12H2,1-2H3
InChIKeyJGHTYZAGQZPBKS-UHFFFAOYSA-N
MW407.33 g/mol
LogP4.48
Rot. Bonds6

About N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide

N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide (PubChem CID 60540003) has the molecular formula C18H19BrN2O2S and a molecular weight of 407.33 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide
PubChem CID60540003
Molecular FormulaC18H19BrN2O2S
Molecular Weight407.33 g/mol
Exact Mass406.04
IUPAC NameN-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide
SMILESCCCN(C(C)c1ccccc1Br)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H19BrN2O2S/c1-3-12-21(14(2)17-6-4-5-7-18(17)19)24(22,23)16-10-8-15(13-20)9-11-16/h4-11,14H,3,12H2,1-2H3
InChIKeyJGHTYZAGQZPBKS-UHFFFAOYSA-N
XLogP4.48
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide 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-[1-(2-bromophenyl)ethyl]-1-(3-cyanophenyl)-N-propylmethanesulfonamide
CID 60539888
N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-sulfonamide
CID 60958870
N-[1-(2-bromophenyl)ethyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-sulfonamide
CID 60539947
1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55913777
3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269699
N-benzyl-4-cyano-N-propylbenzenesulfonamide
CID 30328624
N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 138999711
N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride
CID 119982419
N-[1-(2-bromophenyl)ethyl]-3-methylsulfonyl-N-propylpropanamide
CID 87025496
4-chloro-N-[(4-cyanophenyl)methyl]-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 58129247
2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide
CID 61060009

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide (CID 60540003) is N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide is CCCN(C(C)c1ccccc1Br)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide?
The InChIKey is JGHTYZAGQZPBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2S/c1-3-12-21(14(2)17-6-4-5-7-18(17)19)24(22,23)16-10-8-15(13-20)9-11-16/h4-11,14H,3,12H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide?
N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide has a molecular weight of 407.33 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide is sourced from PubChem (CID 60540003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).