4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C21H18ClN3O3S — CID 23740440

IUPAC4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1
InChIInChI=1S/C21H18ClN3O3S/c1-25(14-12-16-5-2-3-13-24-16)29(26,27)18-10-8-17(9-11-18)28-21-7-4-6-20(22)19(21)15-23/h2-11,13H,12,14H2,1H3
InChIKeyRVHMRPLCUQRMKD-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.26
Rot. Bonds7

About 4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 23740440) has the molecular formula C21H18ClN3O3S and a molecular weight of 427.91 g/mol. Its IUPAC name is 4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID23740440
Molecular FormulaC21H18ClN3O3S
Molecular Weight427.91 g/mol
Exact Mass427.08
IUPAC Name4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1
InChIInChI=1S/C21H18ClN3O3S/c1-25(14-12-16-5-2-3-13-24-16)29(26,27)18-10-8-17(9-11-18)28-21-7-4-6-20(22)19(21)15-23/h2-11,13H,12,14H2,1H3
InChIKeyRVHMRPLCUQRMKD-UHFFFAOYSA-N
XLogP4.26
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide 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

4-(3-chloro-2-cyanophenoxy)-N-ethyl-N-phenylbenzenesulfonamide
CID 3716205
4-(3-chloro-2-cyanophenoxy)-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 6733371
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680
2-chloro-4-cyano-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 75475340
2-[4-[4-(3-chloro-2-cyanophenoxy)phenyl]phenoxy]-6-[4-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonylphenoxy]benzonitrile
CID 21062512
4-(3-chloro-2-cyanophenoxy)-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 3706036
1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 60548735
N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 55353222
2-chloro-6-(4-propoxyphenoxy)benzonitrile
CID 63512370
4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 5016217
N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 52552426

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 23740440) is 4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is CN(CCc1ccccn1)S(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1.
What is the InChIKey of 4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is RVHMRPLCUQRMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3S/c1-25(14-12-16-5-2-3-13-24-16)29(26,27)18-10-8-17(9-11-18)28-21-7-4-6-20(22)19(21)15-23/h2-11,13H,12,14H2,1H3.
What are the key properties of 4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 427.91 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 23740440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).